data_2d35_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 2d35 _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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.311 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 50' ' ' TRP . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG22 ' CZ ' ' A' ' 28' ' ' PHE . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.703 0.287 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG12 ' CZ ' ' A' ' 28' ' ' PHE . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.418 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.413 ' CE ' ' CG2' ' A' ' 10' ' ' ILE . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.42 HG12 ' CZ ' ' A' ' 28' ' ' PHE . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CG2' ' CE ' ' A' ' 12' ' ' MET . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.406 ' CE ' ' CG2' ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.648 0.261 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.67 160.69 35.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.0 93.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.614 2.209 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.01 120.7 82.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.9 110.09 2.5 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.481 2.12 . . . . 0.0 112.318 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.38 -4.95 15.99 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.724 2.283 . . . . 0.0 112.758 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 120.5 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.38 -77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.17 154.45 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.91 145.41 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.491 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.4 OUTLIER -82.86 96.37 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.723 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 1.3 tmt? 163.97 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.893 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp 176.88 40.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.756 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.4 -167.0 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.29 128.87 0.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.756 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.75 148.1 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.428 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' CE2' ' A' ' 50' ' ' TRP . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.421 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.61 -47.28 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -55.85 -28.77 58.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.135 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -30.61 28.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.34 85.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -72.66 89.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 m -63.22 116.47 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -146.31 27.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.246 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.015 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -59.57 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 129.1 11.69 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.561 2.174 . . . . 0.0 112.512 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -164.68 53.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 4' ' ' ALA . 85.3 Cg_endo -77.99 109.57 2.74 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.592 2.194 . . . . 0.0 112.52 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.45 170.77 16.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.373 2.048 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.38 165.37 34.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -59.42 -51.07 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.91 144.72 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.55 143.83 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.403 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -82.9 96.42 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 163.79 -69.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.041 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.11 40.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.922 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.95 30.64 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.591 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' HA2' ' HA ' ' A' ' 17' ' ' ASP . . . -109.58 116.44 4.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.851 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -163.28 144.96 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.429 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.01 -39.71 72.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.45 -32.76 22.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.75 -44.41 86.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.658 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.83 101.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.91 125.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -132.53 166.45 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.56 77.29 0.39 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 106.03 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.36 109.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.2 159.29 53.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.468 2.112 . . . . 0.0 112.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 165.78 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.255 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 69.03 -64.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t60 73.9 83.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.66 179.9 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.518 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -135.34 150.41 29.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -82.61 96.46 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.1 -59.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.048 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 pp 177.13 39.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.51 13.96 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.13 95.78 1.43 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.15 147.26 17.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.483 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG22 ' CZ ' ' A' ' 28' ' ' PHE . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CZ ' HG22 ' A' ' 26' ' ' VAL . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -26.87 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.31 -58.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.286 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.08 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.159 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -148.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.679 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.94 84.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.14 175.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 1.9 t -165.15 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.91 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.934 0.397 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 97.16 9.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.12 172.9 10.23 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.486 2.124 . . . . 0.0 112.24 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' CB ' ' CD ' ' A' ' 5' ' ' PRO . . . -166.65 -64.07 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.271 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' A' ' 4' ' ' ALA . 82.8 Cg_endo -77.58 111.19 3.1 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.59 2.193 . . . . 0.0 112.397 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.13 3.99 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.695 2.264 . . . . 0.0 112.834 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.59 -163.26 1.58 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 69.31 157.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -179.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.275 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.525 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 18.7 t -113.2 150.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -82.2 109.59 16.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.23 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.3 OUTLIER 81.23 18.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.584 -179.087 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -135.31 9.71 3.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.359 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 70.07 -62.31 0.43 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.407 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 95.98 144.93 17.98 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.476 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 147.78 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG13 ' CZ ' ' A' ' 28' ' ' PHE . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB1' ' CZ ' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.64 -26.02 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.02 51.53 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.541 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.93 151.79 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.05 115.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 t -100.19 -29.55 12.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.882 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.828 0.346 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 133.37 92.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.756 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.34 -37.57 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.525 2.15 . . . . 0.0 112.373 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 61.89 163.73 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.21 112.78 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.87 179.69 2.58 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.371 2.048 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.59 164.19 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.61 -58.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.89 122.95 46.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.64 146.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.45 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.99 96.25 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.532 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.1 ttm 162.18 -69.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.964 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp 178.18 39.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.11 -170.13 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.66 106.23 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm -93.78 138.01 32.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' HB3' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.02 -27.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -43.04 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.18 152.13 8.7 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.633 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 112.5 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.37 137.72 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.7 t -92.24 147.34 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 61.28 154.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.65 -55.83 3.4 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.288 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.49 148.38 41.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.454 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 34.9 Cg_exo -56.53 -47.2 25.06 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.534 2.156 . . . . 0.0 112.645 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.454 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 85.5 Cg_endo -78.95 141.94 17.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.308 2.005 . . . . 0.0 112.413 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -106.08 -49.67 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.09 109.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.4 159.38 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.533 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.26 150.33 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.45 96.21 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.075 0.464 . . . . 0.0 110.264 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 3.5 mtp 161.47 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.912 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -179.5 52.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.022 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 55.79 171.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.55 -149.33 7.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.441 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -109.77 162.75 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG12 ' CZ ' ' A' ' 28' ' ' PHE . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.432 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -35.67 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.68 -55.21 7.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -35.25 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.77 -57.01 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 114.19 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.41 137.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -60.56 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -123.3 141.45 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.69 156.68 11.31 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.431 2.087 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.8 82.8 2.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.523 2.149 . . . . 0.0 112.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.84 159.59 52.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.538 2.159 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -127.09 148.49 50.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 t60 63.81 133.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.96 166.13 11.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.429 ' HB3' ' CD1' ' A' ' 25' ' ' TYR . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.418 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -132.29 150.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.54 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.9 OUTLIER -82.5 96.19 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.54 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER 165.28 -47.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.76 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 177.66 70.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.709 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 64.69 156.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.72 -149.1 9.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.569 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt -101.02 158.92 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.42 ' HB1' ' CG ' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -30.89 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -68.97 -58.04 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.85 -36.74 75.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.2 87.04 1.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.9 113.26 26.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.8 m 42.55 47.37 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.596 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.8 p -75.55 102.65 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.878 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.869 0.366 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.04 81.24 0.91 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.18 -45.08 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.62 117.87 5.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 70.2 Cg_exo -50.0 -43.17 43.07 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.422 2.082 . . . . 0.0 112.799 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 5' ' ' PRO . 12.8 Cg_exo -69.77 -3.02 11.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.642 2.228 . . . . 0.0 112.858 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.75 68.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 9' ' ' ALA . 37.0 p-80 -116.7 -175.78 2.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.702 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -94.11 171.09 9.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.413 ' CE ' ' CG2' ' A' ' 10' ' ' ILE . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -116.96 150.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -81.62 106.28 13.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.906 0.384 . . . . 0.0 110.075 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mmt 75.06 36.77 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.048 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tp -166.85 -22.91 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.0 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 65.34 153.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.615 0.245 . . . . 0.0 110.729 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . -122.62 -152.57 8.61 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.808 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -106.14 145.98 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.42 HG12 ' CZ ' ' A' ' 28' ' ' PHE . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 26' ' ' VAL . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HA ' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -28.66 66.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -71.8 -30.25 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.01 -20.25 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.227 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.83 109.7 1.04 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.655 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -152.76 84.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.77 137.54 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.93 31.39 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -173.37 -63.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 2' ' ' GLU . 19.0 Cg_endo -61.15 -75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.311 2.008 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.75 57.39 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.72 170.84 16.75 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -175.0 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.598 2.198 . . . . 0.0 112.422 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.88 -56.0 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.75 161.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.8 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.45 161.61 14.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 ' CG2' ' CE ' ' A' ' 12' ' ' MET . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.406 ' CE ' ' CG2' ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.19 135.58 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.612 ' O ' ' HB2' ' A' ' 20' ' ' MET . 44.6 m0 -82.8 96.07 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.642 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.8 ttt 161.01 -62.88 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 170.9 40.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.702 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -137.01 -176.17 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.69 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.74 139.18 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.633 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -153.55 135.89 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -45.6 -49.29 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -86.08 -27.15 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.55 1.23 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.583 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.15 122.3 11.16 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.027 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.67 38.57 5.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.1 m -148.99 141.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.19 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.8 t -162.31 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 63.69 138.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 66.61 2.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.274 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.05 164.64 3.37 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.52 108.15 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.624 2.216 . . . . 0.0 112.088 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 166.34 28.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.12 . . . . 0.0 112.51 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.34 139.46 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.701 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -117.28 78.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 174.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.543 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.63 140.76 45.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 20' ' ' MET . 27.8 t-105 -82.92 96.48 8.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 110.708 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 160.8 -70.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.824 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 pp -179.62 37.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.805 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -133.52 -176.24 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.15 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 102.8 124.65 5.48 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.72 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.87 137.03 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.447 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -23.21 49.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -39.61 72.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.01 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -29.75 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.42 174.25 2.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.632 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 61.47 49.0 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.0 p -138.3 153.6 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.27 97.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.311 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 54' ' ' ILE . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.88 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.57 HG22 ' HE3' ' A' ' 31' ' ' MET . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 44' ' ' PRO . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.475 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 42' ' ' THR . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 43' ' ' VAL . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.647 ' HB2' HD12 ' A' ' 10' ' ' ILE . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 15' ' ' PHE . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' HG2' ' A' ' 12' ' ' MET . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.532 ' HG2' HG22 ' A' ' 10' ' ' ILE . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NH1' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' NH1' ' A' ' 16' ' ' ARG . 11.3 t . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' SER . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 54' ' ' ILE . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.872 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.682 HG21 HG21 ' A' ' 29' ' ' VAL . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 12' ' ' MET . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' ' 10' ' ' ILE . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.815 ' CE1' ' HB1' ' A' ' 47' ' ' ALA . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.746 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 54' ' ' ILE . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 54' ' ' ILE . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' H ' HD23 ' A' ' 30' ' ' LEU . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 29' ' ' VAL . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' SER . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 54' ' ' ILE . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.769 ' CE ' HD23 ' A' ' 36' ' ' LEU . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.769 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 43' ' ' VAL . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.775 HG13 HG21 ' A' ' 29' ' ' VAL . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.703 0.287 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.453 HG21 ' HG3' ' A' ' 48' ' ' GLN . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 38' ' ' SER . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG21 HG13 ' A' ' 54' ' ' ILE . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 43' ' ' VAL . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' HD12 ' A' ' 10' ' ' ILE . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE1' HD12 ' A' ' 36' ' ' LEU . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.602 HG13 HG21 ' A' ' 29' ' ' VAL . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 48' ' ' GLN . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.844 HG21 HG13 ' A' ' 54' ' ' ILE . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 54' ' ' ILE . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 38' ' ' SER . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.48 ' H ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.624 ' CB ' HD13 ' A' ' 10' ' ' ILE . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE1' HD12 ' A' ' 36' ' ' LEU . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.844 HG13 HG21 ' A' ' 29' ' ' VAL . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 48' ' ' GLN . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 38' ' ' SER . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 54' ' ' ILE . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 30' ' ' LEU . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD22 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HG3' ' HE3' ' A' ' 12' ' ' MET . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.617 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 36' ' ' LEU . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 44' ' ' PRO . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.532 ' HE1' HG22 ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.9 HG21 HG13 ' A' ' 54' ' ' ILE . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 35' ' ' PHE . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' LEU . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 54' ' ' ILE . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.671 ' HB2' HD12 ' A' ' 10' ' ' ILE . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.9 HG13 HG21 ' A' ' 29' ' ' VAL . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.648 0.261 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 44' ' ' PRO . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CE1' HG22 ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG21 HG13 ' A' ' 54' ' ' ILE . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD22 HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' A' ' 46' ' ' SER . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 10' ' ' ILE . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' VAL . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD11 HD22 ' A' ' 36' ' ' LEU . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.67 160.69 35.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.0 93.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.614 2.209 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.01 120.7 82.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 55.7 Cg_endo -69.9 110.09 2.5 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.481 2.12 . . . . 0.0 112.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 10.0 Cg_exo -71.38 -4.95 15.99 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.724 2.283 . . . . 0.0 112.758 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 120.5 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.38 -77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.17 154.45 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.935 HG23 ' HA2' ' A' ' 23' ' ' GLY . 38.8 t -123.91 145.41 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.508 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.4 OUTLIER -82.86 96.37 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.723 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 1.3 tmt? 163.97 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.893 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp 176.88 40.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.756 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.4 -167.0 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.935 ' HA2' HG23 ' A' ' 18' ' ' VAL . . . 160.29 128.87 0.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.756 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.75 148.1 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.522 ' CE ' HG22 ' A' ' 54' ' ' ILE . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.88 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.522 HG22 ' CE ' ' A' ' 31' ' ' MET . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.61 -47.28 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -55.85 -28.77 58.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.135 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -30.61 28.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.34 85.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -72.66 89.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 60' ' ' VAL . 27.6 m -63.22 116.47 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -146.31 27.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.246 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.015 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -59.57 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 129.1 11.69 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.561 2.174 . . . . 0.0 112.512 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -164.68 53.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 4' ' ' ALA . 85.3 Cg_endo -77.99 109.57 2.74 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.592 2.194 . . . . 0.0 112.52 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.45 170.77 16.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.373 2.048 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.38 165.37 34.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -59.42 -51.07 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.91 144.72 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 44' ' ' PRO . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.55 143.83 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.403 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -82.9 96.42 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 163.79 -69.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.041 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.11 40.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.922 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.95 30.64 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.591 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 17' ' ' ASP . . . -109.58 116.44 4.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.851 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -163.28 144.96 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 42' ' ' THR . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 43' ' ' VAL . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.647 ' HB2' HD12 ' A' ' 10' ' ' ILE . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 15' ' ' PHE . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.01 -39.71 72.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.45 -32.76 22.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.75 -44.41 86.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.658 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.83 101.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.91 125.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -132.53 166.45 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.56 77.29 0.39 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 106.03 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.36 109.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.2 159.29 53.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.468 2.112 . . . . 0.0 112.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 165.78 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.255 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 69.03 -64.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t60 73.9 83.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.66 179.9 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' HG2' ' A' ' 12' ' ' MET . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.532 ' HG2' HG22 ' A' ' 10' ' ' ILE . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NH1' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' NH1' ' A' ' 16' ' ' ARG . 11.3 t -135.34 150.41 29.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -82.61 96.46 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.1 -59.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.048 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 21' ' ' LEU . 2.3 pp 177.13 39.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.51 13.96 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.13 95.78 1.43 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.15 147.26 17.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' SER . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 54' ' ' ILE . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.872 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.682 HG21 HG21 ' A' ' 29' ' ' VAL . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -26.87 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.31 -58.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.286 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.08 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.159 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -148.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.679 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.94 84.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.14 175.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 62' ' ' GLU . 1.9 t -165.15 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 61' ' ' THR . 10.2 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.934 0.397 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 97.16 9.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.12 172.9 10.23 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.486 2.124 . . . . 0.0 112.24 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -166.65 -64.07 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.271 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 82.8 Cg_endo -77.58 111.19 3.1 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.59 2.193 . . . . 0.0 112.397 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.13 3.99 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.695 2.264 . . . . 0.0 112.834 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.59 -163.26 1.58 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 69.31 157.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -179.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.275 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 12' ' ' MET . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' ' 10' ' ' ILE . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.815 ' CE1' ' HB1' ' A' ' 47' ' ' ALA . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.559 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 18.7 t -113.2 150.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -82.2 109.59 16.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.23 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.3 OUTLIER 81.23 18.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.584 -179.087 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -135.31 9.71 3.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.359 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 70.07 -62.31 0.43 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.407 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 95.98 144.93 17.98 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.476 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 147.78 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.746 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 54' ' ' ILE . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 54' ' ' ILE . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' H ' HD23 ' A' ' 30' ' ' LEU . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 29' ' ' VAL . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.64 -26.02 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.02 51.53 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.541 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.93 151.79 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.05 115.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 t -100.19 -29.55 12.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.882 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.828 0.346 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 133.37 92.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.756 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.34 -37.57 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.525 2.15 . . . . 0.0 112.373 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 5' ' ' PRO . . . 61.89 163.73 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 4' ' ' ALA . 71.2 Cg_exo -51.21 112.78 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.87 179.69 2.58 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.371 2.048 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.59 164.19 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.61 -58.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -103.89 122.95 46.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.64 146.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.99 96.25 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.532 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.1 ttm 162.18 -69.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.964 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp 178.18 39.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.11 -170.13 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.66 106.23 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm -93.78 138.01 32.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' SER . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 54' ' ' ILE . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.769 ' CE ' HD23 ' A' ' 36' ' ' LEU . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.769 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.775 HG13 HG21 ' A' ' 29' ' ' VAL . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.02 -27.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -43.04 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.18 152.13 8.7 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.633 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 112.5 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.37 137.72 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.7 t -92.24 147.34 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 2' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 1' ' ' THR . 3.9 mm-40 61.28 154.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.65 -55.83 3.4 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.288 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -116.49 148.38 41.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.475 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 34.9 Cg_exo -56.53 -47.2 25.06 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.534 2.156 . . . . 0.0 112.645 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 85.5 Cg_endo -78.95 141.94 17.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.308 2.005 . . . . 0.0 112.413 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -106.08 -49.67 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.09 109.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.4 159.38 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.453 HG21 ' HG3' ' A' ' 48' ' ' GLN . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.26 150.33 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.45 96.21 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.075 0.464 . . . . 0.0 110.264 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 3.5 mtp 161.47 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.912 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.2 pp -179.5 52.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.022 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 55.79 171.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.55 -149.33 7.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.441 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -109.77 162.75 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 38' ' ' SER . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG21 HG13 ' A' ' 54' ' ' ILE . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' HD12 ' A' ' 10' ' ' ILE . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG3' HG21 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE1' HD12 ' A' ' 36' ' ' LEU . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.602 HG13 HG21 ' A' ' 29' ' ' VAL . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -35.67 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.68 -55.21 7.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -35.25 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.77 -57.01 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 114.19 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.41 137.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -60.56 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -123.3 141.45 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.69 156.68 11.31 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.431 2.087 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.8 82.8 2.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.523 2.149 . . . . 0.0 112.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.84 159.59 52.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.538 2.159 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -127.09 148.49 50.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 t60 63.81 133.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.96 166.13 11.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 48' ' ' GLN . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' CA ' ' A' ' 23' ' ' GLY . 61.6 t -132.29 150.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.558 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.9 OUTLIER -82.5 96.19 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER 165.28 -47.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.76 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER 177.66 70.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.709 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 64.69 156.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.688 ' CA ' HG23 ' A' ' 18' ' ' VAL . . . -114.72 -149.1 9.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.569 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt -101.02 158.92 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.844 HG21 HG13 ' A' ' 54' ' ' ILE . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 54' ' ' ILE . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 38' ' ' SER . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.48 ' H ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.624 ' CB ' HD13 ' A' ' 10' ' ' ILE . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE1' HD12 ' A' ' 36' ' ' LEU . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.844 HG13 HG21 ' A' ' 29' ' ' VAL . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -30.89 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -68.97 -58.04 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.85 -36.74 75.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.2 87.04 1.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.9 113.26 26.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.8 m 42.55 47.37 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.596 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.8 p -75.55 102.65 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.878 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.869 0.366 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.04 81.24 0.91 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.18 -45.08 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.62 117.87 5.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 70.2 Cg_exo -50.0 -43.17 43.07 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.422 2.082 . . . . 0.0 112.799 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 5' ' ' PRO . 12.8 Cg_exo -69.77 -3.02 11.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.642 2.228 . . . . 0.0 112.858 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.75 68.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 9' ' ' ALA . 37.0 p-80 -116.7 -175.78 2.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.702 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -94.11 171.09 9.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 48' ' ' GLN . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -116.96 150.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -81.62 106.28 13.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.906 0.384 . . . . 0.0 110.075 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mmt 75.06 36.77 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.048 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tp -166.85 -22.91 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.0 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 65.34 153.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.615 0.245 . . . . 0.0 110.729 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . -122.62 -152.57 8.61 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.808 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -106.14 145.98 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 38' ' ' SER . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 54' ' ' ILE . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 30' ' ' LEU . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD22 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HG3' ' HE3' ' A' ' 12' ' ' MET . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.617 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 36' ' ' LEU . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -28.66 66.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -71.8 -30.25 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.01 -20.25 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.227 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.83 109.7 1.04 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.655 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -152.76 84.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 62' ' ' GLU . 12.3 p -99.77 137.54 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.93 31.39 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -173.37 -63.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 2' ' ' GLU . 19.0 Cg_endo -61.15 -75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.311 2.008 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.75 57.39 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.72 170.84 16.75 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -175.0 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.598 2.198 . . . . 0.0 112.422 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.88 -56.0 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.75 161.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.8 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.45 161.61 14.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 44' ' ' PRO . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.532 ' HE1' HG22 ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.19 135.58 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.63 ' O ' ' HB2' ' A' ' 20' ' ' MET . 44.6 m0 -82.8 96.07 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.642 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.63 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.8 ttt 161.01 -62.88 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' HG2' ' A' ' 20' ' ' MET . 0.5 OUTLIER 170.9 40.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.702 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -137.01 -176.17 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.69 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.74 139.18 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.633 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -153.55 135.89 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.9 HG21 HG13 ' A' ' 54' ' ' ILE . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 35' ' ' PHE . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' LEU . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 54' ' ' ILE . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.671 ' HB2' HD12 ' A' ' 10' ' ' ILE . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.9 HG13 HG21 ' A' ' 29' ' ' VAL . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -45.6 -49.29 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -86.08 -27.15 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' HG22 ' A' ' 60' ' ' VAL . 2.8 tp10 -82.55 1.23 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.583 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.15 122.3 11.16 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.027 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.67 38.57 5.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG22 ' C ' ' A' ' 57' ' ' GLU . 3.1 m -148.99 141.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.19 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 62' ' ' GLU . 3.8 t -162.31 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' THR . 3.9 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 63.69 138.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 66.61 2.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.274 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 5' ' ' PRO . . . -173.05 164.64 3.37 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 4' ' ' ALA . 13.4 Cg_endo -56.52 108.15 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.624 2.216 . . . . 0.0 112.088 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 166.34 28.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.12 . . . . 0.0 112.51 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.34 139.46 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.701 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -117.28 78.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 174.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 44' ' ' PRO . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.63 140.76 45.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 20' ' ' MET . 27.8 t-105 -82.92 96.48 8.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 110.708 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 160.8 -70.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.824 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.5 pp -179.62 37.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.805 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -133.52 -176.24 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.15 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 102.8 124.65 5.48 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.72 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.87 137.03 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CE1' HG22 ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG21 HG13 ' A' ' 54' ' ' ILE . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD22 HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' A' ' 46' ' ' SER . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 10' ' ' ILE . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' VAL . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD11 HD22 ' A' ' 36' ' ' LEU . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -23.21 49.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -39.61 72.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.01 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -29.75 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.42 174.25 2.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.632 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 61.47 49.0 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 61' ' ' THR . 11.0 p -138.3 153.6 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER 62.27 97.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.752 0.311 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 54' ' ' ILE . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.88 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.57 HG22 ' HE3' ' A' ' 31' ' ' MET . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 44' ' ' PRO . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.475 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t . . . . . 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.458 ' O ' HG22 ' A' ' 42' ' ' THR . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 43' ' ' VAL . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.647 ' HB2' HD12 ' A' ' 10' ' ' ILE . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 15' ' ' PHE . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.774 0.321 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' HG2' ' A' ' 12' ' ' MET . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.532 ' HG2' HG22 ' A' ' 10' ' ' ILE . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NH1' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' NH1' ' A' ' 16' ' ' ARG . 11.3 t . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' SER . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 54' ' ' ILE . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.872 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.682 HG21 HG21 ' A' ' 29' ' ' VAL . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 0.0 111.275 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 12' ' ' MET . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' ' 10' ' ' ILE . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.815 ' CE1' ' HB1' ' A' ' 47' ' ' ALA . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.746 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 54' ' ' ILE . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 54' ' ' ILE . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.481 ' H ' HD23 ' A' ' 30' ' ' LEU . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 29' ' ' VAL . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' SER . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 54' ' ' ILE . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.769 ' CE ' HD23 ' A' ' 36' ' ' LEU . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.769 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 43' ' ' VAL . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.775 HG13 HG21 ' A' ' 29' ' ' VAL . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.703 0.287 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.453 HG21 ' HG3' ' A' ' 48' ' ' GLN . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 38' ' ' SER . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG21 HG13 ' A' ' 54' ' ' ILE . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 43' ' ' VAL . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' HD12 ' A' ' 10' ' ' ILE . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG3' HG21 ' A' ' 10' ' ' ILE . 1.5 tm0? -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE1' HD12 ' A' ' 36' ' ' LEU . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.602 HG13 HG21 ' A' ' 29' ' ' VAL . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.745 0.307 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 48' ' ' GLN . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.844 HG21 HG13 ' A' ' 54' ' ' ILE . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 54' ' ' ILE . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 38' ' ' SER . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.48 ' H ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.624 ' CB ' HD13 ' A' ' 10' ' ' ILE . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE1' HD12 ' A' ' 36' ' ' LEU . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.844 HG13 HG21 ' A' ' 29' ' ' VAL . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.872 0.368 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 48' ' ' GLN . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.577 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 38' ' ' SER . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 54' ' ' ILE . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.876 HD22 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HG3' ' HE3' ' A' ' 12' ' ' MET . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.617 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 36' ' ' LEU . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 44' ' ' PRO . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.532 ' HE1' HG22 ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.9 HG21 HG13 ' A' ' 54' ' ' ILE . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 35' ' ' PHE . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' LEU . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 54' ' ' ILE . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.671 ' HB2' HD12 ' A' ' 10' ' ' ILE . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.9 HG13 HG21 ' A' ' 29' ' ' VAL . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.648 0.261 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 44' ' ' PRO . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CE1' HG22 ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.708 HG21 HG13 ' A' ' 54' ' ' ILE . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.73 HD22 HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' A' ' 46' ' ' SER . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 10' ' ' ILE . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' VAL . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.73 HD11 HD22 ' A' ' 36' ' ' LEU . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -91.67 160.69 35.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.0 93.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.614 2.209 . . . . 0.0 112.296 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.01 120.7 82.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 55.7 Cg_endo -69.9 110.09 2.5 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.481 2.12 . . . . 0.0 112.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 5' ' ' PRO . 10.0 Cg_exo -71.38 -4.95 15.99 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.724 2.283 . . . . 0.0 112.758 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -111.34 120.5 42.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.38 -77.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.17 154.45 25.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 1.7 mp -128.62 90.68 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.072 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -86.58 92.99 9.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.04 -78.73 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' OD2' ' CE2' ' A' ' 15' ' ' PHE . 1.2 p30 -79.1 -51.75 9.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.8 t -170.57 45.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.08 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 12.4 m-85 -109.61 134.19 52.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.766 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 123.62 3.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.133 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -75.17 -170.99 1.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.935 HG23 ' HA2' ' A' ' 23' ' ' GLY . 38.8 t -123.91 145.41 31.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.956 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.508 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.4 OUTLIER -82.86 96.37 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.723 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 1.3 tmt? 163.97 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.893 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 tp 176.88 40.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.756 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.4 -167.0 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.935 ' HA2' HG23 ' A' ' 18' ' ' VAL . . . 160.29 128.87 0.99 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.756 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -100.75 148.1 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.677 0.275 . . . . 0.0 110.466 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 44' ' ' PRO . 13.8 m-85 -148.34 112.32 5.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.984 0.421 . . . . 0.0 111.297 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -134.7 129.62 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.725 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -113.51 152.39 30.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.999 0.428 . . . . 0.0 111.784 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -134.71 126.98 30.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.416 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.69 116.27 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.284 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.63 130.49 56.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.522 ' CE ' HG22 ' A' ' 54' ' ' ILE . 8.4 mtt -112.56 -165.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.65 28.19 11.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.516 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -161.95 -58.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.727 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.4 m -130.78 164.88 24.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -152.49 143.87 23.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.65 144.19 39.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.691 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.66 105.26 5.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.016 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.88 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.3 t -97.68 135.43 21.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.667 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.85 165.28 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.516 2.144 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.52 4.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.012 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.58 -170.23 2.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.61 17.95 12.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.428 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.412 HG13 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -139.56 126.06 12.38 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.985 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 73.4 Cg_endo -74.26 -25.34 13.58 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.483 2.122 . . . . 0.0 112.453 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.51 -60.42 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -57.89 -25.45 60.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.85 -61.99 2.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.187 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -29.11 69.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.962 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -69.9 -34.97 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' ' 38' ' ' SER . 36.3 t-105 -69.74 -56.08 8.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.989 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.05 89.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.28 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -63.39 -40.68 97.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.074 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -55.46 -45.28 76.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.021 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.522 HG22 ' CE ' ' A' ' 31' ' ' MET . 29.0 mm -74.6 -44.28 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.61 -47.28 84.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -55.85 -28.77 58.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.135 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -30.61 28.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.822 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -92.34 85.29 1.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -72.66 89.03 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.516 ' O ' HG23 ' A' ' 60' ' ' VAL . 27.6 m -63.22 116.47 3.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.055 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 41.6 p -146.31 27.9 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.246 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.015 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -59.57 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.41 129.1 11.69 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.561 2.174 . . . . 0.0 112.512 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' N ' ' CD ' ' A' ' 5' ' ' PRO . . . -164.68 53.04 0.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 4' ' ' ALA . 85.3 Cg_endo -77.99 109.57 2.74 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.592 2.194 . . . . 0.0 112.52 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.45 170.77 16.6 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.373 2.048 . . . . 0.0 112.344 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.38 165.37 34.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -59.42 -51.07 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.91 144.72 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD12 ' HB2' ' A' ' 44' ' ' PRO . 2.1 mt -109.03 95.69 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 tmtm? -94.9 92.44 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 111.1 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.34 -78.25 0.59 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.323 179.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -79.4 -44.8 20.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.341 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p 174.7 46.58 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.867 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -115.97 121.81 43.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.959 0.409 . . . . 0.0 110.936 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -161.08 116.97 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.497 ' HA ' ' HA2' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -95.27 124.73 39.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.817 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.8 t -129.55 143.83 39.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.785 0.326 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.403 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -82.9 96.42 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 163.79 -69.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.041 -179.744 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 177.11 40.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.922 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -137.95 30.64 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.591 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' A' ' 17' ' ' ASP . . . -109.58 116.44 4.53 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.851 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -163.28 144.96 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.34 . . . . 0.0 110.628 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 18.5 m-85 -119.41 110.87 17.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG21 ' CZ ' ' A' ' 28' ' ' PHE . 11.2 p -152.52 139.28 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB2' ' CE1' ' A' ' 15' ' ' PHE . . . -122.94 126.5 47.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.909 0.385 . . . . 0.0 111.503 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 26' ' ' VAL . 31.3 m-85 -116.92 102.42 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.567 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.89 131.76 63.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.292 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 pp -129.96 139.1 51.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.2 mtm -127.8 -171.5 2.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.32 -29.05 41.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.561 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.12 94.34 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.9 p 62.14 149.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -143.83 -177.09 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.754 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.96 128.19 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.917 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 131.76 54.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.94 104.94 9.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.22 -175.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.49 2.127 . . . . 0.0 112.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.44 143.45 38.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.097 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.96 -170.77 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 42' ' ' THR . 4.9 m -118.4 31.95 6.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.293 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 43' ' ' VAL . 10.2 p -143.02 108.24 5.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.647 ' HB2' HD12 ' A' ' 10' ' ' ILE . 76.8 Cg_endo -77.21 -12.33 17.39 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.517 2.145 . . . . 0.0 112.694 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.14 -64.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 111.029 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 m -59.7 -22.04 61.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 15' ' ' PHE . . . -56.4 -58.65 7.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.39 -36.61 80.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -76.67 -21.77 54.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.355 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.2 t-105 -81.03 -55.52 4.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.766 0.317 . . . . 0.0 111.07 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -66.99 -44.28 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.304 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -57.39 -39.64 76.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.182 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -52.62 65.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.0 mm -58.93 -44.17 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.294 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.01 -39.71 72.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.45 -32.76 22.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -25.67 65.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.75 -44.41 86.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.658 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.83 101.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -66.91 125.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 40.8 p -132.53 166.45 22.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 p . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.56 77.29 0.39 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.4 106.03 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.555 2.17 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.36 109.79 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.2 159.29 53.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.468 2.112 . . . . 0.0 112.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.88 165.78 0.74 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.512 2.141 . . . . 0.0 112.255 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 69.03 -64.98 0.31 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.5 t60 73.9 83.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.66 179.9 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 HG22 ' HG2' ' A' ' 12' ' ' MET . 6.6 mt -133.56 90.73 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.775 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 1.2 tmtt? -88.83 92.95 9.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.3 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.532 ' HG2' HG22 ' A' ' 10' ' ' ILE . 32.4 mmt -109.2 -79.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.614 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.2 -53.29 7.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.781 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.1 m -170.77 49.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.783 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 32.1 m-85 -116.55 121.3 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.736 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' NH1' HG22 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -162.23 119.71 2.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.687 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 7.3 t70 -114.12 130.1 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.37 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' NH1' ' A' ' 16' ' ' ARG . 11.3 t -135.34 150.41 29.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.786 0.327 . . . . 0.0 111.23 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -82.61 96.46 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 166.1 -59.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.048 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' C ' HD12 ' A' ' 21' ' ' LEU . 2.3 pp 177.13 39.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -129.51 13.96 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.13 95.78 1.43 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.518 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.15 147.26 17.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.68 0.276 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 15' ' ' PHE . 37.7 m-85 -143.35 110.92 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.104 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 38' ' ' SER . 8.4 p -137.8 130.96 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -107.79 143.81 35.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.592 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -128.88 101.98 6.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.533 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 54' ' ' ILE . 2.4 m -106.54 114.93 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.33 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mt -76.37 139.05 40.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.0 mtt -138.97 34.99 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 81.4 -108.77 2.91 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.83 -31.7 59.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -118.27 -177.08 3.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -176.66 135.39 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 HD12 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -67.07 119.96 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.759 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.53 133.53 34.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.089 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.872 ' O ' HG23 ' A' ' 26' ' ' VAL . 21.9 t -126.56 98.78 31.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.626 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.8 146.73 94.85 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.344 2.029 . . . . 0.0 112.339 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.2 129.77 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.53 -168.97 1.82 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.02 23.39 6.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.406 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.5 p -123.93 125.67 25.81 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.946 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 85.2 Cg_endo -79.64 -25.44 5.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.59 2.193 . . . . 0.0 112.488 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.75 -62.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.2 t -56.59 -23.44 40.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -57.59 -55.43 34.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 111.308 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -78.46 -21.03 49.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.493 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -78.72 -44.11 24.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.26 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -83.02 -36.92 24.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.519 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -60.82 -42.32 97.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -30.25 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.2 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.682 HG21 HG21 ' A' ' 29' ' ' VAL . 21.0 mm -67.92 -59.2 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -26.87 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.577 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.31 -58.03 3.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 111.286 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -41.08 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.159 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.52 -148.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.679 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.94 84.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.14 175.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 62' ' ' GLU . 1.9 t -165.15 -47.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.214 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' N ' HG23 ' A' ' 61' ' ' THR . 10.2 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.934 0.397 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.66 97.16 9.25 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.12 172.9 10.23 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.486 2.124 . . . . 0.0 112.24 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.831 ' HB3' ' HD3' ' A' ' 5' ' ' PRO . . . -166.65 -64.07 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.271 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.831 ' HD3' ' HB3' ' A' ' 4' ' ' ALA . 82.8 Cg_endo -77.58 111.19 3.1 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.59 2.193 . . . . 0.0 112.397 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -87.13 3.99 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 122.695 2.264 . . . . 0.0 112.834 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -142.59 -163.26 1.58 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 110.923 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 69.31 157.04 0.15 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -179.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.275 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.625 HG22 ' HG2' ' A' ' 12' ' ' MET . 1.6 mp -131.09 99.26 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -84.97 92.68 8.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.796 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.625 ' HG2' HG22 ' A' ' 10' ' ' ILE . 28.0 mmt -109.33 -77.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.813 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.24 -54.0 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.839 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.67 34.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.815 ' CE1' ' HB1' ' A' ' 47' ' ' ALA . 3.0 m-85 -98.79 131.54 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.766 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -161.34 120.61 2.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.307 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.559 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 20.8 p-10 -91.44 146.89 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.687 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 21' ' ' LEU . 18.7 t -113.2 150.21 15.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.314 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.413 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -82.2 109.59 16.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.23 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.413 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.3 OUTLIER 81.23 18.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.584 -179.087 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -135.31 9.71 3.47 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.359 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 70.07 -62.31 0.43 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.407 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 95.98 144.93 17.98 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.476 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.59 147.78 34.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 10.8 m-85 -133.39 111.27 10.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 38' ' ' SER . 7.1 p -140.71 139.17 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.746 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -114.78 139.58 49.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.335 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 26' ' ' VAL . 3.9 m-85 -118.48 102.0 8.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.743 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 HG21 ' A' ' 54' ' ' ILE . 2.8 m -108.18 152.75 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.231 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -121.31 115.01 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.827 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.448 ' CE ' HG23 ' A' ' 54' ' ' ILE . 2.0 ttm -110.24 37.67 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.481 ' H ' HD23 ' A' ' 30' ' ' LEU . . . 79.15 -92.78 1.28 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.3 -31.91 8.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.311 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 m -65.89 -66.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 5.2 t80 63.29 123.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.55 99.59 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -91.46 120.22 32.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 26' ' ' VAL . 16.7 p -108.16 115.84 57.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -51.88 169.37 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.507 2.138 . . . . 0.0 112.206 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.13 122.0 18.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -106.34 -176.17 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.47 29.38 7.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.213 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.618 ' O ' HG13 ' A' ' 43' ' ' VAL . 9.9 p -143.23 106.7 5.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.015 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.419 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 56.7 Cg_endo -70.36 -17.45 34.86 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.365 2.043 . . . . 0.0 112.461 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.46 -64.07 0.95 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 0.0 110.998 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 t -58.92 -23.85 61.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.815 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -55.68 -55.76 28.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.219 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -57.63 -51.38 69.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -59.04 -31.38 68.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.19 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -71.52 -56.06 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.138 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.598 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -61.68 -26.88 68.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.352 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.61 -42.68 58.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.011 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -55.46 -47.16 76.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG21 HG21 ' A' ' 29' ' ' VAL . 40.7 mm -65.81 -44.68 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.266 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.35 70.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -63.13 -29.92 71.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.64 -26.02 13.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.02 51.53 4.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.541 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.93 151.79 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.4 m -73.05 115.2 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 t -100.19 -29.55 12.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.882 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.828 0.346 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.9 133.37 92.26 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.756 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.34 -37.57 1.81 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.525 2.15 . . . . 0.0 112.373 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 5' ' ' PRO . . . 61.89 163.73 0.11 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 4' ' ' ALA . 71.2 Cg_exo -51.21 112.78 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.68 2.253 . . . . 0.0 112.292 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -67.87 179.69 2.58 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.371 2.048 . . . . 0.0 112.311 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -99.59 164.19 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.61 -58.68 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . . . -103.89 122.95 46.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mt -126.35 90.97 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 5.3 mtmm -82.7 92.6 7.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.43 -80.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.64 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.36 -49.71 11.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.988 0.423 . . . . 0.0 110.408 179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.9 t -175.57 35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.775 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 27' ' ' ALA . 1.4 m-85 -98.95 121.8 41.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.01 0.433 . . . . 0.0 110.709 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -157.68 117.31 3.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.544 ' OD1' ' HB2' ' A' ' 9' ' ' ALA . 5.0 p-10 -69.9 160.74 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.797 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.64 146.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.994 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.47 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.99 96.25 8.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.532 179.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.1 ttm 162.18 -69.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.964 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp 178.18 39.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.728 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.11 -170.13 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.66 106.23 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 10.0 mttm -93.78 138.01 32.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.77 0.319 . . . . 0.0 110.754 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 13.7 m-85 -140.92 110.85 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.143 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 38' ' ' SER . 7.8 p -138.18 138.15 43.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.614 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -123.98 146.32 48.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.411 . . . . 0.0 111.708 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -125.84 114.87 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.326 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.775 HG21 HG13 ' A' ' 54' ' ' ILE . 10.9 m -131.71 138.22 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.908 0.385 . . . . 0.0 111.422 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -122.8 127.41 49.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.707 179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.769 ' CE ' HD23 ' A' ' 36' ' ' LEU . 6.7 mtt -96.12 40.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.18 -56.75 5.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.545 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.42 -48.18 2.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -107.3 118.62 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.966 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -108.01 142.65 37.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.809 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.769 HD23 ' CE ' ' A' ' 31' ' ' MET . 0.4 OUTLIER -96.69 117.62 31.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.41 111.85 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.963 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.696 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.3 p -110.66 97.63 33.7 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -47.87 164.74 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.526 2.151 . . . . 0.0 112.422 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.93 122.78 13.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -106.54 -178.24 3.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.87 26.25 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.3 p -144.69 118.59 5.68 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' CE2' ' A' ' 25' ' ' TYR . 73.1 Cg_endo -76.21 -22.76 12.48 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.526 2.151 . . . . 0.0 112.488 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -64.08 -47.09 81.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.009 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 t -68.1 -25.22 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB1' ' CE1' ' A' ' 15' ' ' PHE . . . -61.46 -55.91 26.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 0.0 111.247 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -64.55 -32.33 73.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -82.09 -24.34 35.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.509 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 51.4 t-105 -82.87 -58.0 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.806 0.336 . . . . 0.0 111.25 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.91 -55.34 33.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.51 -33.15 69.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.223 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -58.22 -43.1 87.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.921 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.775 HG13 HG21 ' A' ' 29' ' ' VAL . 42.6 mm -64.61 -42.82 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.206 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -50.02 -27.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.98 -43.04 18.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -79.42 -15.9 57.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -53.18 152.13 8.7 Favored Glycine 0 C--N 1.331 0.303 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.633 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 112.5 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.782 0.325 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -150.37 137.72 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.7 t -92.24 147.34 23.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.894 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.466 HG23 ' H ' ' A' ' 2' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.725 0.298 . . . . 0.0 111.425 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' H ' HG23 ' A' ' 1' ' ' THR . 3.9 mm-40 61.28 154.89 0.11 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.964 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.65 -55.83 3.4 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.566 2.177 . . . . 0.0 112.288 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' A' ' 6' ' ' PRO . . . -116.49 148.38 41.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.475 ' N ' ' HD2' ' A' ' 6' ' ' PRO . 34.9 Cg_exo -56.53 -47.2 25.06 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.534 2.156 . . . . 0.0 112.645 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 5' ' ' PRO . 85.5 Cg_endo -78.95 141.94 17.08 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.308 2.005 . . . . 0.0 112.413 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -106.08 -49.67 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.1 t60 62.09 109.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.4 159.38 18.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.453 HG21 ' HG3' ' A' ' 48' ' ' GLN . 8.7 mt -138.97 90.93 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -95.19 92.45 6.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.965 0.412 . . . . 0.0 111.163 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.6 -74.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.449 179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.19 -53.88 6.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.766 179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.9 34.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.725 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -102.84 122.04 43.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.93 0.395 . . . . 0.0 110.635 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -161.13 126.03 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -80.32 -173.34 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.732 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.26 150.33 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 20' ' ' MET . 0.6 OUTLIER -82.45 96.21 7.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.075 0.464 . . . . 0.0 110.264 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 3.5 mtp 161.47 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.912 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.2 pp -179.5 52.01 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.022 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 55.79 171.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.55 -149.33 7.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.441 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -109.77 162.75 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.812 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 15.1 m-85 -146.18 115.73 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 38' ' ' SER . 7.5 p -145.94 134.88 16.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.616 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 15' ' ' PHE . . . -109.78 147.09 33.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.057 0.456 . . . . 0.0 111.888 -179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' CZ ' HG13 ' A' ' 26' ' ' VAL . 3.4 m-85 -134.84 101.87 5.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG21 HG13 ' A' ' 54' ' ' ILE . 3.7 m -112.7 117.49 55.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.354 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.75 136.61 41.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.5 tpp -123.78 167.96 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.84 -46.75 92.97 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.29 -67.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.6 t -127.1 134.66 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 p90 -86.45 148.03 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -87.58 99.01 11.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.789 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.42 116.25 28.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.752 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -108.12 114.62 59.5 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.74 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.36 152.53 8.4 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.411 2.074 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.46 127.5 32.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.31 173.42 6.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.1 m -105.52 26.42 9.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.287 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.9 p -135.42 125.73 16.84 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.95 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' HD12 ' A' ' 10' ' ' ILE . 91.0 Cg_endo -83.42 -22.4 3.91 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.6 2.2 . . . . 0.0 112.816 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -73.77 -29.67 62.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.263 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t -78.74 -30.53 45.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.725 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -58.0 -52.43 65.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.453 ' HG3' HG21 ' A' ' 10' ' ' ILE . 1.5 tm0? -66.26 -26.21 67.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.141 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -83.06 -24.36 32.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.386 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' HE1' HD12 ' A' ' 36' ' ' LEU . 13.7 t-105 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.791 0.329 . . . . 0.0 111.275 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.99 -55.71 31.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.341 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -56.66 -27.78 59.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -59.75 -44.7 93.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.602 HG13 HG21 ' A' ' 29' ' ' VAL . 29.1 mm -61.79 -47.26 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.265 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -35.67 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.934 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.68 -55.21 7.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.65 -35.25 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.77 -57.01 2.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 114.19 8.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.41 137.44 31.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 46.1 p -60.56 -47.18 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.337 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -123.3 141.45 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.69 156.68 11.31 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.431 2.087 . . . . 0.0 112.309 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -109.8 82.8 2.48 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.58 164.09 34.32 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.523 2.149 . . . . 0.0 112.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.84 159.59 52.78 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.538 2.159 . . . . 0.0 112.337 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -127.09 148.49 50.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.7 t60 63.81 133.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.96 166.13 11.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.624 HD13 ' CB ' ' A' ' 48' ' ' GLN . 2.8 mt -129.28 90.75 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -79.2 92.71 5.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.262 -179.616 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.24 -74.33 0.66 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.22 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -47.79 14.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.53 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.6 m -179.37 43.9 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.656 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.731 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 22.1 m-85 -104.76 124.8 50.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -161.36 118.41 2.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.346 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' HB3' ' OH ' ' A' ' 25' ' ' TYR . 5.9 p-10 -69.12 -178.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.778 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.688 HG23 ' CA ' ' A' ' 23' ' ' GLY . 61.6 t -132.29 150.36 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.578 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.558 ' O ' ' HB2' ' A' ' 20' ' ' MET . 0.9 OUTLIER -82.5 96.19 7.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.644 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 0.9 OUTLIER 165.28 -47.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.76 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.714 ' O ' HD12 ' A' ' 21' ' ' LEU . 1.0 OUTLIER 177.66 70.51 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.709 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.0 mtp85 64.69 156.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.688 ' CA ' HG23 ' A' ' 18' ' ' VAL . . . -114.72 -149.1 9.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.569 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 18.9 mttt -101.02 158.92 15.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 110.728 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 44' ' ' PRO . 40.6 m-85 -151.99 111.64 3.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.194 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 8.0 p -139.74 127.69 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.831 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -104.14 126.69 51.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.425 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' CE1' ' CG2' ' A' ' 26' ' ' VAL . 38.9 m-85 -115.98 101.93 9.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.733 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.844 HG21 HG13 ' A' ' 54' ' ' ILE . 3.4 m -122.79 139.23 50.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.306 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -129.38 120.17 25.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 54' ' ' ILE . 4.5 ptt? -157.16 132.99 9.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.49 -136.42 29.86 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.13 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 p -93.29 84.29 4.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -60.93 178.77 0.21 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HE1' ' A' ' 50' ' ' TRP . 0.1 OUTLIER -94.24 111.01 22.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -88.28 116.67 26.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 17.3 t -123.59 101.68 36.64 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 38' ' ' SER . 41.1 Cg_endo -67.23 175.83 5.35 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.486 2.124 . . . . 0.0 112.343 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 135.1 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -137.05 -172.1 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.821 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 p -127.66 46.76 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.344 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.1 p -137.64 114.03 9.41 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 25' ' ' TYR . 83.5 Cg_endo -80.51 -17.3 10.13 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.629 2.219 . . . . 0.0 112.816 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -82.54 -36.48 26.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.397 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.48 ' H ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -77.41 -29.5 53.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.23 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.731 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -56.7 -61.06 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 111.298 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.624 ' CB ' HD13 ' A' ' 10' ' ' ILE . 20.1 tp60 -55.44 -31.91 62.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.7 ttt-85 -86.16 -20.89 27.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.843 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.545 ' HE1' HD12 ' A' ' 36' ' ' LEU . 9.0 t-105 -81.72 -56.68 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.706 0.289 . . . . 0.0 111.681 -179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.41 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -70.92 -57.12 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -49.82 -26.11 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.804 -179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -72.34 -36.95 68.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.72 0.295 . . . . 0.0 111.203 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.844 HG13 HG21 ' A' ' 29' ' ' VAL . 11.5 mm -68.69 -54.57 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.25 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.8 -30.89 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -68.97 -58.04 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.084 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -69.85 -36.74 75.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.2 87.04 1.37 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -108.9 113.26 26.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.719 0.295 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.8 m 42.55 47.37 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.596 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.8 p -75.55 102.65 5.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.878 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.869 0.366 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.04 81.24 0.91 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.18 -45.08 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.524 2.149 . . . . 0.0 112.395 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -145.62 117.87 5.16 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.169 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.5 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 70.2 Cg_exo -50.0 -43.17 43.07 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.422 2.082 . . . . 0.0 112.799 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 5' ' ' PRO . 12.8 Cg_exo -69.77 -3.02 11.17 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.642 2.228 . . . . 0.0 112.858 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -69.75 68.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 9' ' ' ALA . 37.0 p-80 -116.7 -175.78 2.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.702 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 8' ' ' HIS . . . -94.11 171.09 9.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 15' ' ' PHE . 3.1 mt -127.41 90.75 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.728 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.79 94.96 9.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HG3' ' A' ' 48' ' ' GLN . 2.9 ttm -109.03 -75.49 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -79.46 -52.88 7.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.687 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.49 50.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.479 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.577 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 36.3 m-85 -113.27 126.74 55.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.073 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -161.63 129.92 4.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.621 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB3' ' CE1' ' A' ' 25' ' ' TYR . 49.1 p30 -114.62 -177.83 3.22 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.976 0.417 . . . . 0.0 110.988 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -116.96 150.88 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.487 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -81.62 106.28 13.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.906 0.384 . . . . 0.0 110.075 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mmt 75.06 36.77 0.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.048 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tp -166.85 -22.91 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.897 -0.592 . . . . 0.0 112.0 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 65.34 153.19 0.06 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.615 0.245 . . . . 0.0 110.729 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . -122.62 -152.57 8.61 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.54 -0.838 . . . . 0.0 112.808 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -106.14 145.98 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.714 0.293 . . . . 0.0 110.674 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 15' ' ' PHE . 24.6 m-85 -140.37 124.8 17.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.32 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 38' ' ' SER . 7.3 p -151.19 128.4 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.623 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.617 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -106.03 142.88 34.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.455 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -129.4 101.84 6.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.616 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.469 HG21 HG13 ' A' ' 54' ' ' ILE . 4.1 m -108.97 142.68 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 30' ' ' LEU . 2.6 mp -129.99 104.32 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.828 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -110.82 60.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.76 -96.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -124.15 150.39 45.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.5 m 61.05 38.31 17.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -60.25 178.65 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.876 HD22 HD11 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -108.63 119.12 38.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -102.96 96.0 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.407 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -80.13 123.57 83.28 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.65 -170.95 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.404 2.069 . . . . 0.0 112.2 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.98 102.99 15.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -98.45 -164.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.673 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.7 79.59 1.71 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.233 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 43' ' ' VAL . 12.5 p -178.42 120.0 0.24 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.42 ' HB3' ' CE2' ' A' ' 25' ' ' TYR . 93.9 Cg_endo -79.23 -23.87 7.16 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.492 2.128 . . . . 0.0 112.628 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.46 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -67.6 -21.82 65.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.53 ' HB1' ' CD1' ' A' ' 15' ' ' PHE . . . -53.97 -58.47 7.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.492 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' HG3' ' HE3' ' A' ' 12' ' ' MET . 0.8 OUTLIER -66.19 -29.8 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.23 -28.84 53.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.157 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -73.02 -58.12 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.133 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.617 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -64.43 -25.22 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.342 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -81.65 -30.8 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.072 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -45.27 93.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.044 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.876 HD11 HD22 ' A' ' 36' ' ' LEU . 40.2 mm -63.45 -42.99 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -28.66 66.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.022 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -71.8 -30.25 65.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.044 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -100.01 -20.25 16.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.227 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.83 109.7 1.04 Allowed Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.655 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -152.76 84.17 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 62' ' ' GLU . 12.3 p -99.77 137.54 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.93 31.39 3.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' H ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.821 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.816 0.341 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' CB ' ' CD ' ' A' ' 3' ' ' PRO . 0.4 OUTLIER -173.37 -63.76 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.448 ' CD ' ' CB ' ' A' ' 2' ' ' GLU . 19.0 Cg_endo -61.15 -75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.311 2.008 . . . . 0.0 112.343 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.75 57.39 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.815 0.341 . . . . 0.0 111.075 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.72 170.84 16.75 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -175.0 1.0 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.598 2.198 . . . . 0.0 112.422 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.88 -56.0 5.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -157.75 161.86 38.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.8 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.45 161.61 14.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.671 HD12 ' HB2' ' A' ' 44' ' ' PRO . 1.5 mp -122.96 106.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.75 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 19.2 tptm -95.14 92.26 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.95 0.405 . . . . 0.0 111.351 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.532 ' HE1' HG22 ' A' ' 10' ' ' ILE . 5.0 tpp -109.33 -75.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.068 179.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 15' ' ' PHE . 20.9 t0 -79.61 -50.06 11.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.357 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.85 46.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.72 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -119.98 121.77 39.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.037 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -160.5 131.3 5.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.901 0.382 . . . . 0.0 111.045 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.47 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.757 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t -119.19 135.58 59.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.63 ' O ' ' HB2' ' A' ' 20' ' ' MET . 44.6 m0 -82.8 96.07 8.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.642 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.63 ' HB2' ' O ' ' A' ' 19' ' ' TRP . 3.8 ttt 161.01 -62.88 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.788 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' HG ' ' HG2' ' A' ' 20' ' ' MET . 0.5 OUTLIER 170.9 40.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.702 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -137.01 -176.17 4.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.69 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -178.74 139.18 3.9 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.633 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -153.55 135.89 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 110.7 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.439 ' CE2' ' HD3' ' A' ' 44' ' ' PRO . 22.0 m-85 -141.97 113.64 7.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.166 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.34 145.46 35.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.7 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -121.83 142.0 50.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.98 0.419 . . . . 0.0 111.711 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -125.0 108.48 11.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.457 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.9 HG21 HG13 ' A' ' 54' ' ' ILE . 15.8 m -125.03 131.51 72.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.244 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 35' ' ' PHE . 4.8 mp -122.58 132.8 54.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 14.2 ptp -115.67 -177.68 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.678 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -84.97 53.19 4.79 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.758 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -68.03 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.884 0.373 . . . . 0.0 110.728 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -142.64 115.11 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.408 ' CB ' ' HA ' ' A' ' 30' ' ' LEU . 47.6 p90 -69.92 140.1 53.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD22 HD11 ' A' ' 54' ' ' ILE . 4.3 tp -83.71 121.64 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.787 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.01 118.67 33.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.23 116.22 33.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.65 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.11 158.04 54.12 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.389 2.06 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.27 129.39 41.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -114.62 -175.43 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.972 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.05 28.15 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 43' ' ' VAL . 11.9 p -144.03 114.53 5.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.073 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.671 ' HB2' HD12 ' A' ' 10' ' ' ILE . 92.1 Cg_endo -78.1 -17.48 13.45 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.461 2.107 . . . . 0.0 112.628 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.32 -64.05 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.356 . . . . 0.0 111.051 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 95.3 p -68.79 -21.88 64.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.94 -61.94 1.92 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.455 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.3 -42.7 91.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.003 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -21.08 66.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -78.28 -52.16 9.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 111.286 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -71.5 -51.81 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.439 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -53.69 -24.75 15.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.389 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -50.25 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.9 HG13 HG21 ' A' ' 29' ' ' VAL . 45.6 mm -59.07 -39.82 79.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.342 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -45.6 -49.29 14.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.301 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -86.08 -27.15 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' C ' HG22 ' A' ' 60' ' ' VAL . 2.8 tp10 -82.55 1.23 38.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.583 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.15 122.3 11.16 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.69 -0.767 . . . . 0.0 113.027 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 65.67 38.57 5.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 111.442 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG22 ' C ' ' A' ' 57' ' ' GLU . 3.1 m -148.99 141.44 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.19 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 62' ' ' GLU . 3.8 t -162.31 -44.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.202 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 61' ' ' THR . 3.9 tp10 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.818 0.342 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 63.69 138.19 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.94 66.61 2.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.274 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 5' ' ' PRO . . . -173.05 164.64 3.37 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 4' ' ' ALA . 13.4 Cg_endo -56.52 108.15 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.624 2.216 . . . . 0.0 112.088 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 166.34 28.84 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.479 2.12 . . . . 0.0 112.51 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -129.34 139.46 51.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.701 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -117.28 78.15 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.085 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.67 174.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.74 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 44' ' ' PRO . 8.9 mt -142.53 90.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' PHE . 0.0 OUTLIER -88.99 92.39 9.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.836 0.35 . . . . 0.0 110.878 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.449 ' HE2' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -109.52 -74.43 0.65 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.571 179.525 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -79.12 -50.59 10.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 t -174.31 37.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.26 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 27' ' ' ALA . 11.5 m-85 -100.01 125.8 46.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 110.815 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.52 117.3 2.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' HA ' ' HA3' ' A' ' 23' ' ' GLY . 9.3 p-10 -92.71 168.28 11.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.63 140.76 45.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.728 0.299 . . . . 0.0 111.213 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.42 ' O ' ' CB ' ' A' ' 20' ' ' MET . 27.8 t-105 -82.92 96.48 8.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.897 0.379 . . . . 0.0 110.708 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.42 ' CB ' ' O ' ' A' ' 19' ' ' TRP . 0.0 OUTLIER 160.8 -70.17 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.824 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 21' ' ' LEU . 3.5 pp -179.62 37.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.805 179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -133.52 -176.24 4.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.15 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 17' ' ' ASP . . . 102.8 124.65 5.48 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.72 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -134.87 137.03 42.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.829 0.347 . . . . 0.0 110.638 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' PHE . 8.9 m-85 -108.49 110.77 22.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG22 ' CE1' ' A' ' 28' ' ' PHE . 7.1 p -137.23 141.8 39.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.666 ' HB1' ' HB2' ' A' ' 51' ' ' ALA . . . -117.23 142.74 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.072 0.463 . . . . 0.0 111.878 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.463 ' CE1' HG22 ' A' ' 26' ' ' VAL . 7.2 m-85 -135.0 104.2 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.382 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.708 HG21 HG13 ' A' ' 54' ' ' ILE . 4.2 m -113.26 119.36 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.465 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -104.73 109.99 22.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.0 ptp -99.49 36.7 1.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.24 -64.72 1.66 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.15 118.68 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.5 90.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -84.22 157.59 21.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.73 HD22 HD11 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -109.92 98.91 8.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 128.62 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.41 136.44 20.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.44 162.25 2.34 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.63 102.96 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' TYR . 52.4 m-85 -66.59 -176.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.849 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 m -126.71 24.41 6.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.651 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' A' ' 46' ' ' SER . 5.1 m -145.97 132.72 9.89 Favored Pre-proline 0 C--N 1.33 -0.247 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.784 ' O ' HD12 ' A' ' 10' ' ' ILE . 94.9 Cg_endo -79.06 -15.45 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.3 2.0 . . . . 0.0 111.298 178.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -83.28 -58.92 2.63 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -66.07 -29.19 69.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.74 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 43' ' ' VAL . . . -47.87 -62.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.461 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -27.9 64.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.104 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -68.07 -29.82 68.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.052 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -75.97 -58.06 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.093 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.666 ' HB2' ' HB1' ' A' ' 27' ' ' ALA . . . -58.75 -48.72 80.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.256 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -60.06 -30.21 69.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.75 -42.51 93.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.979 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.73 HD11 HD22 ' A' ' 36' ' ' LEU . 28.9 mm -67.12 -58.85 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.153 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -23.21 49.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.16 -39.61 72.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.01 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.02 -29.75 8.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.42 174.25 2.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.632 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 61.47 49.0 5.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 61' ' ' THR . 11.0 p -138.3 153.6 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER 62.27 97.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 stop_ save_