data_2dao_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 2dao _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 ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.45 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.464 ' CE ' HD12 ' A' ' 112' ' ' LEU . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.45 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD11 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' CE ' ' A' ' 54' ' ' LYS . 60.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.522 HG13 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 14' ' ' TYR . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD13 ' CG1' ' A' ' 15' ' ' VAL . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.6 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.462 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.462 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 8.4 t60 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.455 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 108' ' ' GLU . 3.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' HD12 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 38' ' ' PHE . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.492 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 18' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CD1' ' HE2' ' A' ' 59' ' ' MET . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.425 ' CG ' HD21 ' A' ' 11' ' ' LEU . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.563 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 5.6 t60 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HB2' ' CB ' ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 83' ' ' GLN . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.2 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.533 HG13 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 24' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.462 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.558 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 24' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 59' ' ' MET . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.565 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.427 ' CG ' HD21 ' A' ' 11' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.503 HD23 ' CZ ' ' A' ' 61' ' ' TYR . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' C ' ' OD1' ' A' ' 13' ' ' ASP . 9.6 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LEU . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.492 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 38' ' ' PHE . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.4 p-80 -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.441 ' C ' ' CG ' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CG ' ' C ' ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.402 ' CG2' ' HG3' ' A' ' 63' ' ' LYS . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' MET . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 61' ' ' TYR . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.46 ' N ' HD12 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' PHE . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' ASP . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 14' ' ' TYR . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.443 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' A' ' 32' ' ' ASP . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 78' ' ' ARG . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.434 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLY . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.424 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 13' ' ' ASP . 6.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.574 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.494 ' CB ' ' O ' ' A' ' 26' ' ' ASN . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.415 ' CG ' HD23 ' A' ' 11' ' ' LEU . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ARG . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.556 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.464 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.437 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.0 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' ASP . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.46 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.46 ' HB ' ' CB ' ' A' ' 32' ' ' ASP . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.534 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.1 p-80 -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 38' ' ' PHE . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 14' ' ' TYR . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.3 p-80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.463 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CG ' HD21 ' A' ' 107' ' ' LEU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 95' ' ' GLU . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.509 HD21 ' CG ' ' A' ' 70' ' ' HIS . 7.6 mp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.524 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 31' ' ' GLU . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 HG12 ' CG ' ' A' ' 88' ' ' ARG . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 87' ' ' PHE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CE1' ' OH ' ' A' ' 72' ' ' TYR . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.867 0.365 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 38' ' ' PHE . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' CD1' ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.51 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 2.8 p-80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.449 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 89' ' ' PHE . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' GLU . 4.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.722 0.296 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' LEU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.7 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 18' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 58' ' ' ASN . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG21 ' A' ' 57' ' ' THR . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.457 ' CG ' HD21 ' A' ' 11' ' ' LEU . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.57 HG23 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.521 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.563 HD11 ' CZ3' ' A' ' 50' ' ' TRP . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.479 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.422 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 76' ' ' ILE . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 109' ' ' SER . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HG2' ' CB ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 18' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 14' ' ' TYR . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.413 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.504 ' CG ' HD21 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HE1' ' CD1' ' A' ' 50' ' ' TRP . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 111' ' ' GLU . 15.5 m-70 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG21 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.444 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' CG ' HG12 ' A' ' 37' ' ' ILE . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.459 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.426 ' N ' HG22 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.561 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.426 HD12 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' ASP . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.451 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.409 ' CG2' HD13 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 3.9 p-80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 13' ' ' ASP . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 14' ' ' TYR . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.548 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 61' ' ' TYR . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CE2' HD13 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 14' ' ' TYR . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ILE . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 34' ' ' GLU . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.481 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.559 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 78' ' ' ARG . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.426 ' N ' HG23 ' A' ' 77' ' ' ILE . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.479 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 61' ' ' TYR . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 83' ' ' GLN . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.406 ' N ' HD13 ' A' ' 107' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 109' ' ' SER . 91.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' ASP . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 HG12 ' CG ' ' A' ' 88' ' ' ARG . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.441 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.433 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE2' HD12 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 38' ' ' PHE . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 14' ' ' TYR . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.426 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.1 p-80 -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.402 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.416 ' CG ' HD21 ' A' ' 11' ' ' LEU . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.49 ' CG ' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.548 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 85' ' ' LEU . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 70' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 118.02 29.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -130.47 43.15 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.73 -41.4 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -68.96 114.5 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -135.55 176.46 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.91 -59.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -41.83 -39.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 41.13 44.4 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 104' ' ' LEU . 27.2 mt -113.75 152.6 30.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.546 ' CE2' HD12 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 13' ' ' ASP . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.546 HD12 ' CE2' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.45 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.464 ' CE ' HD12 ' A' ' 112' ' ' LEU . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.45 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' N ' HD11 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -70.48 -31.22 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -115.16 28.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.6 mtt -90.77 94.2 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -158.82 170.29 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.38 102.49 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -128.39 -63.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -152.81 131.14 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.77 37.02 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -89.52 164.23 14.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -37.41 -43.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 108' ' ' GLU . 23.5 mm-40 -39.75 -54.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' GLU . 6.8 m-70 -36.32 -40.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.9 36.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 105' ' ' GLU . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' CE ' ' A' ' 54' ' ' LYS . 60.9 mt -126.36 -45.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 147.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.73 142.05 8.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.47 18.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 p -95.31 -12.18 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 m 38.85 44.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -93.72 108.76 20.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.76 131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m -137.56 147.04 44.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -39.53 -53.11 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.71 -124.22 5.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -117.58 144.7 44.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.48 38.14 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? -37.61 121.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.538 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CE2' HD12 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.522 HG13 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 14' ' ' TYR . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD13 ' CG1' ' A' ' 15' ' ' VAL . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.481 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.435 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.6 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.462 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.462 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.546 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 8.4 t60 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.444 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.455 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 -75.94 -47.12 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' MET . 21.1 mt -62.06 -32.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 96' ' ' ILE . 17.9 mmt -34.71 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.7 m -70.24 127.3 32.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.25 116.84 5.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -93.11 -58.45 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.7 m -108.26 -52.4 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.16 101.24 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -45.65 112.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD21 ' CE1' ' A' ' 71' ' ' TYR . 2.1 tt -83.54 37.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 1.1 mp0 -99.58 -39.81 8.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' LEU . 3.8 m170 -37.92 -58.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 108' ' ' GLU . 3.8 mm? -33.67 -40.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt -59.17 145.77 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 p -97.85 151.83 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.7 140.14 11.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.72 24.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 t -77.27 -57.44 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.3 p -101.37 123.75 45.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -111.96 105.85 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 m -75.39 100.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.28 96.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -133.51 -51.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -49.87 114.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.11 143.93 5.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.86 133.04 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp -52.0 170.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.573 ' CE2' HD12 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 38' ' ' PHE . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.492 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 18' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CD1' ' HE2' ' A' ' 59' ' ' MET . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 113' ' ' SER . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.425 ' CG ' HD21 ' A' ' 11' ' ' LEU . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.563 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 5.6 t60 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' CD1' HD11 ' A' ' 104' ' ' LEU . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' CD1' HD11 ' A' ' 96' ' ' ILE . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HB2' ' CB ' ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 83' ' ' GLN . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.512 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.512 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -82.09 -29.34 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.445 HD11 ' CD1' ' A' ' 76' ' ' ILE . 7.4 mt -93.13 21.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mtt -95.31 179.52 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' GLY . 23.3 t 53.23 43.24 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.46 150.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -115.09 -54.08 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.4 t -122.19 -14.74 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -140.05 109.51 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.18 132.29 50.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 74' ' ' LEU . 1.9 mm? -67.83 -21.22 65.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 108' ' ' GLU . 54.2 mm-40 -48.54 -33.68 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -41.99 -37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.2 mm? -84.82 28.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 105' ' ' GLU . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.461 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.3 mt -157.96 143.69 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 61.8 p -56.29 103.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -144.25 -154.96 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -64.0 -55.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 p 37.98 41.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.491 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -102.28 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -93.05 42.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.49 -116.51 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -157.8 131.26 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -107.31 131.69 53.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -43.72 2.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.4 88.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -144.34 112.97 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.42 -178.01 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.487 ' N ' ' O ' ' A' ' 11' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.533 HG13 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD22 ' CD2' ' A' ' 24' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.462 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.563 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.533 ' CE2' HG13 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.434 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' ASN . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.558 ' HE2' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.56 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.466 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -81.91 -49.43 10.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.3 mp -57.34 -46.15 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.5 mtt -38.36 -42.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m -103.84 106.14 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.68 -40.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 72.95 35.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -159.82 126.31 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 103' ' ' ARG . 6.7 p-10 39.52 50.96 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ASP . 6.4 mtm105 -34.93 134.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.43 -21.17 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -57.26 -28.03 62.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -45.9 -28.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.02 31.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.4 mt -39.97 -60.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -166.33 120.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -88.45 -147.85 15.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.1 Cg_endo -69.75 -31.6 20.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' PRO . 79.7 p -34.86 125.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.4 m -100.07 104.57 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -150.29 157.66 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -160.16 127.39 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.45 130.91 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -134.11 169.23 17.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -107.87 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.03 -117.76 1.09 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.18 75.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -58.04 -51.74 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.54 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? -57.07 134.28 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.473 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.445 HG12 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.508 HD22 ' CD2' ' A' ' 24' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.507 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 59' ' ' MET . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.565 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.565 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.574 ' HE1' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.427 ' CG ' HD21 ' A' ' 11' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 104' ' ' LEU . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 104' ' ' LEU . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HG3' ' CD1' ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.503 HD23 ' CZ ' ' A' ' 61' ' ' TYR . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 -90.74 -44.94 9.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG21 ' CZ ' ' A' ' 103' ' ' ARG . 2.5 mp -88.0 29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 mmt -96.67 -20.21 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -124.8 104.21 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -149.04 -161.85 9.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 101' ' ' THR . 2.0 tmm_? -54.14 144.81 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.472 ' N ' ' HD2' ' A' ' 100' ' ' ARG . 5.8 t -40.66 -35.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.461 ' N ' HG21 ' A' ' 101' ' ' THR . 37.9 m-20 -128.23 68.66 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CZ ' HG21 ' A' ' 96' ' ' ILE . 4.5 tmm_? -111.36 -53.91 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 76' ' ' ILE . 13.1 tp -116.65 -39.39 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -58.89 -23.25 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -68.33 -11.28 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.61 23.8 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -48.46 -30.46 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 49.92 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.07 -173.1 38.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.54 14.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 p -136.62 128.77 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.5 m 60.87 42.26 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -116.25 122.99 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -72.97 114.85 11.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 173.66 13.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -81.03 104.96 11.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -113.45 94.64 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.84 -87.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -136.33 127.62 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -98.04 -59.08 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' C ' ' OD1' ' A' ' 13' ' ' ASP . 9.6 mp -66.65 178.1 1.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' O ' ' C ' ' A' ' 19' ' ' LEU . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.492 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.492 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 38' ' ' PHE . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.4 p-80 -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.441 ' C ' ' CG ' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' CG ' ' C ' ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.402 ' CG2' ' HG3' ' A' ' 63' ' ' LYS . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' MET . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CD1' ' CD2' ' A' ' 104' ' ' LEU . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 ' CZ ' ' A' ' 61' ' ' TYR . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.46 ' N ' HD12 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' PHE . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.85 -58.19 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 97' ' ' MET . 21.3 mt -48.5 -38.78 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 99' ' ' GLY . 15.4 mmt -34.99 -63.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' MET . 55.1 p -36.94 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 97' ' ' MET . . . -90.51 84.57 1.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -113.65 -45.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -121.79 -49.5 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -116.94 90.71 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -113.07 154.6 26.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD2' ' CD1' ' A' ' 76' ' ' ILE . 1.1 pp -120.45 16.15 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.65 -41.56 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -46.76 -27.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 107' ' ' LEU . 4.5 mm? -83.91 31.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt -130.13 27.93 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t 51.63 45.74 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.14 144.57 48.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 115.76 4.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.5 p -110.83 101.24 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t 60.74 42.12 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -127.46 177.67 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -83.35 -49.4 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.12 -127.33 2.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -44.76 115.49 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -111.95 122.95 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.63 44.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.5 m -70.15 108.45 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -109.41 162.09 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.39 167.86 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' ASP . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 14' ' ' TYR . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.405 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.443 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' HB ' ' CB ' ' A' ' 32' ' ' ASP . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 104' ' ' LEU . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.47 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 78' ' ' ARG . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.434 ' N ' HG22 ' A' ' 77' ' ' ILE . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' GLY . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.424 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.419 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -41.68 94.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.98 -30.51 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 mmt -72.27 -174.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t 42.03 45.09 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.79 -153.25 15.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.41 177.02 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 102' ' ' ASP . 8.8 t -40.51 -42.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 101' ' ' THR . 29.7 t70 -108.99 120.6 43.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLU . 5.1 tpm_? -162.09 155.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 71' ' ' TYR . 3.1 pp -42.2 -23.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' LEU . 42.5 mt-10 -46.33 -38.41 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -40.74 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' GLU . 88.7 mt -84.38 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' GLU . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.448 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt -48.23 -55.31 10.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -154.1 142.53 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.1 -79.11 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.36 2.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -39.44 146.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 t -57.64 132.88 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p 43.96 42.84 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -72.21 93.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.77 165.52 27.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -124.25 -45.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -103.41 89.14 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 88.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.12 -58.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 50.43 25.81 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HB2' ' CG ' ' A' ' 13' ' ' ASP . 6.6 mt -78.46 179.87 6.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.574 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.53 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.507 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.494 ' CB ' ' O ' ' A' ' 26' ' ' ASN . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.415 ' CG ' HD23 ' A' ' 11' ' ' LEU . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' ARG . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.556 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.464 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.437 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.53 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.83 -36.63 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.32 -45.8 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 31.5 mtt -52.14 101.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -113.38 -57.7 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.42 45.88 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -111.25 156.79 20.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 8.9 t -39.28 -44.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -116.45 89.74 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -136.87 164.29 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 103' ' ' ARG . 2.5 tm? -33.75 -38.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 108' ' ' GLU . 2.0 tt0 -39.07 -49.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLU . 47.5 t-80 -34.79 -41.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 107' ' ' LEU . 4.0 mm? -82.64 37.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 105' ' ' GLU . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.09 174.4 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -106.43 116.54 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.02 89.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.68 59.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -99.06 -47.53 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -69.41 105.22 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -136.17 122.16 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -108.59 122.11 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.85 169.07 24.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -129.8 42.3 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -110.21 92.96 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 38.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.94 42.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -67.48 -49.88 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.8 mt -44.69 169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' ASP . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.515 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.535 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.46 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 ' HB ' ' CB ' ' A' ' 32' ' ' ASP . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.534 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.1 p-80 -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.468 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.515 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.43 HG21 ' CD1' ' A' ' 96' ' ' ILE . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 -85.47 -51.7 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 98' ' ' SER . 66.4 mt -51.92 -36.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.6 mmt -34.5 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 96' ' ' ILE . 83.7 p -164.0 136.68 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.02 66.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -108.35 -39.91 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.7 m -122.13 -61.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.05 -29.29 43.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 45.46 49.8 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.54 -33.1 43.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' GLU . 3.5 mm-40 -45.19 -43.0 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -40.33 -33.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt -84.69 32.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.86 -32.57 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t 65.61 43.19 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.02 72.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 103.36 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -157.27 138.62 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.9 p -87.85 134.17 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -125.3 114.6 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.49 166.01 23.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.42 95.9 2.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -81.81 15.79 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -147.16 142.54 27.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.42 -93.87 2.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.1 m -144.19 132.95 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -114.42 44.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -147.11 170.72 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.57 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.558 ' CE2' HD13 ' A' ' 18' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG11 ' CE2' ' A' ' 38' ' ' PHE . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 14' ' ' TYR . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' GLU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.3 p-80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.463 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 66' ' ' ARG . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.467 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.509 ' CG ' HD21 ' A' ' 107' ' ' LEU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 95' ' ' GLU . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.45 ' HA ' ' CE ' ' A' ' 97' ' ' MET . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 -72.2 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 97' ' ' MET . 4.8 mp -42.52 -45.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.45 ' CE ' ' HA ' ' A' ' 94' ' ' ASP . 10.1 mtm -34.92 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -79.69 112.04 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.12 -116.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' ASP . 39.0 mtt85 -128.44 78.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 100' ' ' ARG . 13.5 t 35.98 32.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 100' ' ' ARG . 23.5 t0 -173.94 116.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 104' ' ' LEU . 13.8 mmt180 -146.97 111.04 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER 34.47 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.04 -44.96 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.84 -13.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.509 HD21 ' CG ' ' A' ' 70' ' ' HIS . 7.6 mp -95.91 16.76 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 HD12 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt -42.86 -52.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -166.35 132.78 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.75 138.02 14.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.96 7.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 p -130.62 -45.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 87.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -116.72 93.78 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -61.29 89.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.85 176.48 46.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -109.5 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -115.22 40.9 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.64 -114.81 4.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.9 p -160.52 167.81 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -132.29 133.5 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mt -73.66 157.1 37.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.524 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' CE2' HD12 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.437 ' CD1' HD23 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.553 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' OD1' ' C ' ' A' ' 31' ' ' GLU . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.553 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG12 ' CG ' ' A' ' 88' ' ' ARG . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.487 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.457 ' CZ ' HD23 ' A' ' 85' ' ' LEU . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.46 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.524 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.433 ' CD1' HD21 ' A' ' 104' ' ' LEU . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 87' ' ' PHE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.497 ' CE1' ' OH ' ' A' ' 72' ' ' TYR . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.469 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.469 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.76 -35.85 75.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' MET . 3.8 mp -72.86 -42.03 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ILE . 7.1 mmt -34.14 -39.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.8 m -118.68 134.43 55.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.23 -171.09 36.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' THR . 51.6 mtt85 -109.13 178.0 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 100' ' ' ARG . 70.3 m -38.23 -66.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.3 81.01 0.36 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLU . 17.4 mmt180 -151.01 -175.05 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.433 HD21 ' CD1' ' A' ' 76' ' ' ILE . 9.6 tp -62.03 80.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ARG . 23.1 mm-40 -143.69 -175.01 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 47.25 24.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 28.0 mt -129.32 -32.09 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt -154.38 162.27 41.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -77.08 83.65 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.22 149.79 19.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -108.72 113.17 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -163.28 167.89 21.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -98.42 80.78 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -79.85 79.98 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 81.17 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -56.15 94.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -94.89 112.37 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 85.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.5 t -130.56 136.69 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -138.32 151.18 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.61 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.574 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 11' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG13 ' CE2' ' A' ' 38' ' ' PHE . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' CD1' ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CG2' HD12 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.429 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.564 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.449 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.51 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 2.8 p-80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ARG . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 89' ' ' PHE . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 HD12 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 -92.94 -42.32 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.563 HD13 ' CH2' ' A' ' 12' ' ' TRP . 2.8 pp -61.61 -17.06 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.1 ptp -87.51 79.37 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -113.76 130.25 56.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.18 -100.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -128.11 -71.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 102' ' ' ASP . 26.8 m -158.62 139.54 12.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 101' ' ' THR . 16.7 t0 34.12 51.37 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.91 -175.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.3 tt 51.27 49.46 21.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 108' ' ' GLU . 15.1 mt-10 -82.88 -43.92 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLU . 14.3 t-80 -33.27 -47.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' GLU . 4.3 mm? -59.98 -46.58 88.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 105' ' ' GLU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.6 mt -125.44 159.43 31.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 156.11 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.17 83.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.6 41.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -122.9 -9.51 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 m -168.83 173.04 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 171.75 14.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -169.71 177.82 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -124.15 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 71.41 44.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.01 43.34 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.76 49.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.1 m -131.0 113.98 14.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -150.43 115.32 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.7 mm? -66.48 151.9 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 18' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.495 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 87' ' ' PHE . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.557 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 58' ' ' ASN . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' N ' HG21 ' A' ' 57' ' ' THR . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.457 ' CG ' HD21 ' A' ' 11' ' ' LEU . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.564 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.57 HG23 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' GLY . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.521 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -86.15 -42.72 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 97' ' ' MET . 2.8 pp -71.22 -13.75 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.47 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mtt -75.78 50.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -107.96 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.72 46.38 6.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -75.38 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.0 t -98.52 -23.97 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -172.04 124.72 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -73.47 155.93 38.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 tp -106.83 45.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.51 -36.16 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -51.82 -28.93 17.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.7 33.56 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -138.84 130.44 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -75.51 116.53 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.81 81.21 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 85.71 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.6 p -47.27 -51.01 20.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.1 t -58.29 120.46 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -135.03 171.97 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -72.39 175.19 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 128.57 10.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -120.09 -45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -154.94 175.4 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.71 -95.61 1.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.9 p -89.21 146.79 24.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.53 140.31 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mt -63.52 -179.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.563 HD11 ' CZ3' ' A' ' 50' ' ' TRP . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.406 HG11 ' CD2' ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 20' ' ' SER . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HB3' ' CG ' ' A' ' 31' ' ' GLU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.563 ' CZ3' HD11 ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.54 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.54 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.479 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 76' ' ' ILE . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 -70.68 -33.69 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 97' ' ' MET . 4.5 mp -88.96 -45.6 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 49.8 mtt -37.04 -37.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -120.84 102.86 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' HA3' ' NE ' ' A' ' 103' ' ' ARG . . . -143.46 -150.37 5.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -113.74 -175.02 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.6 t -56.14 -19.75 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.47 69.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' NE ' ' HA3' ' A' ' 99' ' ' GLY . 17.7 mmt-85 -119.8 -174.86 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.3 mp -84.16 88.25 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 108' ' ' GLU . 1.5 pt-20 -131.98 -55.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.416 ' O ' ' OE1' ' A' ' 108' ' ' GLU . 2.2 m-70 -42.91 -23.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 mp -87.51 22.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' HG2' ' CB ' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.404 ' CD2' ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -81.6 -66.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -65.64 87.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.06 -155.01 6.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.0 64.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 117' ' ' SER . 17.7 m -89.94 129.53 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' SER . 58.5 p 37.62 44.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 47.1 42.11 12.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.22 57.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -83.92 98.7 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -88.12 86.96 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 -52.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -57.1 129.58 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -155.91 -177.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -43.78 127.61 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.566 ' CE2' HD13 ' A' ' 18' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 14' ' ' TYR . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.413 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.504 ' CG ' HD21 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.471 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' N ' ' HG2' ' A' ' 39' ' ' ARG . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 27' ' ' PHE . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.419 ' CD1' HD11 ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.559 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HE1' ' CD1' ' A' ' 50' ' ' TRP . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 111' ' ' GLU . 15.5 m-70 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG21 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.444 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' CG ' HG12 ' A' ' 37' ' ' ILE . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.459 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' N ' HG22 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.94 -53.27 58.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' MET . 5.3 mp -63.41 -45.24 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.3 mmt -34.7 -43.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -118.11 96.24 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.23 126.02 8.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -89.0 -50.89 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -112.77 -54.47 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.66 82.48 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -70.56 150.43 46.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.8 tp -117.48 45.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -99.72 -41.35 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.87 -37.87 53.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt -86.72 30.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.561 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.426 HD12 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt -61.26 162.77 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -110.0 168.32 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 156.94 104.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.79 -11.66 31.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.1 m -104.84 138.97 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.3 t -125.85 -49.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -88.52 156.24 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -43.63 -50.88 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -58.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -115.47 -46.18 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -137.09 135.16 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 89.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -147.67 137.81 22.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -130.57 114.64 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.4 mt -140.6 -179.64 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.571 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 13' ' ' ASP . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 HD12 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.451 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 ' CG2' HD13 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 3.9 p-80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.513 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.565 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE1' ' CD1' ' A' ' 104' ' ' LEU . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 -82.24 -56.95 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.451 ' O ' ' C ' ' A' ' 97' ' ' MET . 5.3 mp -63.7 -41.29 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.5 mtm -34.49 -40.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -135.78 107.47 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.91 82.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 101' ' ' THR . 2.4 tpm_? -153.26 113.24 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 100' ' ' ARG . 86.0 m -33.88 -66.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -90.99 94.67 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.19 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.593 ' CD1' ' CE1' ' A' ' 71' ' ' TYR . 1.5 pt? -58.14 -21.2 45.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -49.81 -32.48 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -43.7 -30.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? -84.01 32.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.78 147.49 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -81.72 147.17 29.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.06 85.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -124.34 93.27 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.6 t -53.07 -58.16 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 60.07 41.96 16.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -145.57 142.42 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.25 -139.74 34.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -52.21 128.07 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 122.79 3.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.1 m -55.86 -66.94 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -157.59 123.94 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt -52.04 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 13' ' ' ASP . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.442 HD13 ' CE2' ' A' ' 14' ' ' TYR . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HB3' ' NE1' ' A' ' 30' ' ' TRP . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.516 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.4 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.548 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.568 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 HD12 ' CE1' ' A' ' 61' ' ' TYR . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -52.46 -51.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' MET . 5.0 mp -64.67 -54.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.3 mmt -34.37 -52.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -40.72 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.13 79.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -119.87 -69.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -83.28 165.3 19.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' THR . 30.7 t70 -33.59 104.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 102' ' ' ASP . 56.2 mtp180 -33.69 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 71' ' ' TYR . 2.3 tt -55.82 -32.24 63.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -40.04 -31.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -46.96 -44.59 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.8 39.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.51 157.32 34.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -94.17 105.01 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.97 -156.92 8.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.0 Cg_endo -69.83 2.97 3.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -34.39 135.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.8 p -46.96 130.48 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -128.34 114.73 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -120.97 153.07 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.05 155.61 27.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -151.68 157.42 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -129.85 114.17 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.74 146.13 5.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.2 m -89.35 134.95 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -114.63 87.69 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.5 mt -146.37 -175.3 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.571 ' CE2' HD13 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 14' ' ' TYR . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.57 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 37' ' ' ILE . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 34' ' ' GLU . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.484 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' GLU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.485 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.481 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CZ ' HD22 ' A' ' 85' ' ' LEU . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.559 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 96' ' ' ILE . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 78' ' ' ARG . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.426 ' N ' HG23 ' A' ' 77' ' ' ILE . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.479 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 ' CZ ' ' A' ' 61' ' ' TYR . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.479 ' HB2' ' CG ' ' A' ' 83' ' ' GLN . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 -70.93 -58.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 76' ' ' ILE . 19.4 mt -39.48 -40.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' ILE . 11.1 mmt -33.74 -40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.9 p -81.02 104.51 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.412 ' H ' ' NE ' ' A' ' 103' ' ' ARG . . . -135.42 -155.21 7.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -128.3 -69.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' ASP . 1.4 t -82.31 178.72 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' THR . 1.1 m-20 -34.91 104.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 104' ' ' LEU . 15.1 mmt-85 -62.76 83.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER 35.88 36.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.47 -41.38 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.574 ' CE1' HD22 ' A' ' 107' ' ' LEU . 0.6 OUTLIER -50.09 -24.09 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 106' ' ' HIS . 0.5 OUTLIER -84.83 25.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 109' ' ' SER . 91.8 mt -153.96 136.85 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -57.46 147.9 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.73 -175.17 18.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 178.1 4.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.6 m -91.99 -62.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -53.57 -61.81 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -104.9 119.59 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 p -49.06 -48.72 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.86 156.88 16.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -126.62 99.75 5.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -69.64 -49.11 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.07 106.12 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' C ' ' HG2' ' A' ' 9' ' ' ARG . 31.3 p -88.07 46.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HG2' ' C ' ' A' ' 8' ' ' CYS . 8.9 mmm180 -145.41 112.65 6.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 mp -92.72 169.59 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' CH2' ' A' ' 50' ' ' TRP . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.567 ' CE2' HD12 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' ASP . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.567 HD12 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG12 ' CG ' ' A' ' 88' ' ' ARG . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.441 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.441 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.433 ' CG ' HD23 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.574 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 104' ' ' LEU . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 97' ' ' MET . 5.2 mp -78.41 -49.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 16.5 mtt -34.42 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 96' ' ' ILE . 5.3 t -102.69 81.59 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.88 156.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 101' ' ' THR . 1.6 tmm_? -172.25 151.65 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 100' ' ' ARG . 3.7 t -46.13 -21.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 100' ' ' ARG . 7.6 m-20 -133.66 97.41 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -38.56 134.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 71' ' ' TYR . 26.6 tp -113.35 -12.73 12.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.67 38.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -122.42 -34.15 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.18 21.4 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.3 mt -144.67 172.07 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -87.91 -63.15 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.84 -177.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.29 8.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 t -130.36 88.6 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -71.47 108.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -162.18 118.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -168.24 172.34 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 42.71 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -87.84 142.87 27.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -160.78 135.31 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.83 62.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.5 m -133.02 138.56 46.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.355 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -119.66 155.37 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.0 mt -115.35 162.13 17.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 50' ' ' TRP . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.539 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE2' HD12 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.525 HG12 ' CE2' ' A' ' 38' ' ' PHE . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 14' ' ' TYR . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.426 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 46' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.1 p-80 -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.402 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.416 ' CG ' HD21 ' A' ' 11' ' ' LEU . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 69' ' ' ARG . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.49 ' CG ' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HD13 ' A' ' 96' ' ' ILE . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.548 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 85' ' ' LEU . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.454 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.466 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.488 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 76' ' ' ILE . 15.3 mt -81.1 -44.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 96' ' ' ILE . 67.3 mtt -34.21 -48.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' GLY . 37.0 t -46.7 136.77 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.99 116.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -131.45 174.94 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.1 m -60.33 -58.68 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.38 128.57 38.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -88.14 113.35 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -58.78 -33.09 69.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -45.42 -27.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -56.42 -39.35 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 70' ' ' HIS . 3.3 mm? -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.423 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt -50.33 -51.96 40.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -172.43 158.47 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.6 -95.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.8 t -96.81 132.65 42.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.2 m -140.48 154.27 46.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HE1' ' A' ' 12' ' ' TRP . 27.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.06 HD23 ' HB3' ' A' ' 67' ' ' ALA . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.591 ' HE1' HD13 ' A' ' 10' ' ' LEU . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 HD23 ' A' ' 19' ' ' LEU . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 46' ' ' LEU . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.53 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.67 ' CG2' HD11 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' HD22 ' A' ' 86' ' ' LEU . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 28' ' ' ILE . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.464 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 63' ' ' LYS . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' H ' HG23 ' A' ' 60' ' ' THR . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.06 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.597 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 112' ' ' LEU . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 109' ' ' SER . 60.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.008 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.622 ' CD1' HD21 ' A' ' 46' ' ' LEU . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 15' ' ' VAL . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HB2' HD22 ' A' ' 86' ' ' LEU . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 28' ' ' ILE . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 46' ' ' LEU . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.008 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.88 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.9 t-80 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CE2' ' HB1' ' A' ' 67' ' ' ALA . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 HG13 ' A' ' 77' ' ' ILE . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.578 HD11 ' HE1' ' A' ' 89' ' ' PHE . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.88 HD21 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 ' HB3' ' A' ' 67' ' ' ALA . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 19' ' ' LEU . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG2' HD11 ' A' ' 86' ' ' LEU . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB2' HD22 ' A' ' 86' ' ' LEU . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' ILE . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 49' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.609 ' HZ2' HD11 ' A' ' 112' ' ' LEU . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 68' ' ' LEU . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.948 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.596 ' HA ' HD12 ' A' ' 74' ' ' LEU . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HB3' HD23 ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.613 ' N ' HD13 ' A' ' 86' ' ' LEU . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 111' ' ' GLU . 4.2 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.658 ' HB3' HD13 ' A' ' 107' ' ' LEU . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 107' ' ' LEU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.609 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 14.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' OH ' ' A' ' 71' ' ' TYR . 5.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.051 HD23 ' HB3' ' A' ' 67' ' ' ALA . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.863 ' CE2' HD11 ' A' ' 18' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.965 HG11 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 14' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 86' ' ' LEU . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.965 ' CE2' HG11 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' HD13 ' A' ' 112' ' ' LEU . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.051 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 0.2 OUTLIER 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.706 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.417 HD11 ' HE3' ' A' ' 12' ' ' TRP . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 86' ' ' LEU . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.494 HD13 ' HE3' ' A' ' 54' ' ' LYS . 83.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.028 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.755 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.631 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.754 ' CG2' HD11 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.682 ' HB ' HD22 ' A' ' 85' ' ' LEU . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.487 ' CE ' HD12 ' A' ' 46' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' HD23 ' A' ' 68' ' ' LEU . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.028 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.751 ' HG3' HD12 ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' A' ' 40' ' ' ILE . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.441 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 71' ' ' TYR . 9.6 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.798 ' CE2' HD11 ' A' ' 18' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.798 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' HB3' HD23 ' A' ' 46' ' ' LEU . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.615 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' OD1' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' GLU . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' HG23 ' A' ' 60' ' ' THR . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 10' ' ' LEU . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.1 t30 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.624 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HE ' HD11 ' A' ' 37' ' ' ILE . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' PHE . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.47 HG23 ' HD2' ' A' ' 93' ' ' PRO . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 71' ' ' TYR . 62.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 38' ' ' PHE . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 46' ' ' LEU . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.636 ' CG2' HD11 ' A' ' 86' ' ' LEU . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.776 ' HB2' HD22 ' A' ' 86' ' ' LEU . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 40' ' ' ILE . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.631 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.631 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.485 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' TYR . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 68' ' ' LEU . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HB3' HD23 ' A' ' 86' ' ' LEU . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.623 ' N ' HD13 ' A' ' 86' ' ' LEU . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 88.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' CD ' ' HB3' ' A' ' 107' ' ' LEU . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.612 HD13 ' HE1' ' A' ' 12' ' ' TRP . 6.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.614 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.65 ' O ' HG21 ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.782 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.684 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HB2' HD22 ' A' ' 86' ' ' LEU . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 28' ' ' ILE . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 71' ' ' TYR . 15.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.048 HD23 ' HB3' ' A' ' 67' ' ' ALA . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG12 HD23 ' A' ' 19' ' ' LEU . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.643 HD23 HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CD2' HD22 ' A' ' 18' ' ' LEU . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' HG11 ' A' ' 41' ' ' VAL . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' HG23 ' A' ' 41' ' ' VAL . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HB2' HG22 ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.477 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 31' ' ' GLU . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 40' ' ' ILE . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 28' ' ' ILE . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 18' ' ' LEU . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.576 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.048 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.62 ' N ' HD13 ' A' ' 86' ' ' LEU . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 95' ' ' GLU . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' HE1' ' A' ' 12' ' ' TRP . 13.5 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.978 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG12 HD23 ' A' ' 19' ' ' LEU . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.65 ' CD1' HD21 ' A' ' 46' ' ' LEU . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 15' ' ' VAL . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 18' ' ' LEU . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 41' ' ' VAL . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 38' ' ' PHE . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 86' ' ' LEU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.675 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 26' ' ' ASN . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.9 p80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' CE ' HD11 ' A' ' 112' ' ' LEU . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.477 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 60' ' ' THR . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.425 ' HA ' HD23 ' A' ' 68' ' ' LEU . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.978 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 111' ' ' GLU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 71' ' ' TYR . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 12' ' ' TRP . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 95' ' ' GLU . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.552 HD11 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 108' ' ' GLU . 8.4 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.128 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.609 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 37' ' ' ILE . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.46 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.674 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.59 ' HB2' HD22 ' A' ' 86' ' ' LEU . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' ILE . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.482 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.619 ' HA ' HD23 ' A' ' 68' ' ' LEU . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.128 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 77' ' ' ILE . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 76' ' ' ILE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.609 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 111' ' ' GLU . 28.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.684 HD23 ' OH ' ' A' ' 71' ' ' TYR . 7.8 mp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.867 0.365 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.086 HD23 ' HB3' ' A' ' 67' ' ' ALA . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.975 ' CE2' HD11 ' A' ' 18' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG12 HD23 ' A' ' 19' ' ' LEU . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.975 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' A' ' 38' ' ' PHE . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.634 ' CG2' HD11 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 28' ' ' ILE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.823 ' HB2' HD22 ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 46' ' ' LEU . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 28' ' ' ILE . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.637 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 3.2 p80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.637 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.086 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CB ' HD11 ' A' ' 107' ' ' LEU . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.684 ' OH ' HD23 ' A' ' 10' ' ' LEU . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.527 HG22 HG13 ' A' ' 77' ' ' ILE . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.529 HD11 ' HE3' ' A' ' 12' ' ' TRP . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HG2' HD12 ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.542 HD12 ' HG2' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.637 ' N ' HD13 ' A' ' 86' ' ' LEU . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 94' ' ' ASP . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 92' ' ' THR . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 70' ' ' HIS . 4.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.722 0.296 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' LEU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' NZ ' ' A' ' 54' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.657 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.7 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 67' ' ' ALA . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' HD23 ' A' ' 46' ' ' LEU . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 86' ' ' LEU . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' NH2' ' A' ' 39' ' ' ARG . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 68' ' ' LEU . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.972 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.596 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.514 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 95' ' ' GLU . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' H ' HG22 ' A' ' 92' ' ' THR . 45.1 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.534 ' HA ' HD13 ' A' ' 10' ' ' LEU . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.677 ' HA ' HD12 ' A' ' 112' ' ' LEU . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 109' ' ' SER . 48.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.119 HD23 ' HB3' ' A' ' 67' ' ' ALA . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.75 HG12 HD23 ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 46' ' ' LEU . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' PHE . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB2' HD22 ' A' ' 86' ' ' LEU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 40' ' ' ILE . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.494 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.119 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.616 HD12 HD13 ' A' ' 77' ' ' ILE . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.804 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t30 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.616 HD13 HD12 ' A' ' 68' ' ' LEU . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.654 ' HG2' HD23 ' A' ' 86' ' ' LEU . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.654 HD23 ' HG2' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.517 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 95' ' ' GLU . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 109' ' ' SER . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.834 ' HG2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.4 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.066 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 46' ' ' LEU . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.425 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CG ' HD22 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.647 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.735 ' HB2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' NH1' ' A' ' 39' ' ' ARG . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 46' ' ' LEU . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.421 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.066 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 77' ' ' ILE . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NE ' ' HG2' ' A' ' 90' ' ' MET . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.476 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' A' ' 12' ' ' TRP . 98.4 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.091 HD23 ' HB3' ' A' ' 67' ' ' ALA . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 1.011 ' CE2' HD11 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 HD23 ' A' ' 19' ' ' LEU . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 1.011 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.466 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HB2' HD12 ' A' ' 37' ' ' ILE . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.553 ' CG2' HD11 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 28' ' ' ILE . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 18' ' ' LEU . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 54' ' ' LYS . 6.7 p80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ2' ' A' ' 50' ' ' TRP . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' HD23 ' A' ' 68' ' ' LEU . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.091 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 74' ' ' LEU . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 95' ' ' GLU . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD21 ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 19' ' ' LEU . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 46' ' ' LEU . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 15' ' ' VAL . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.669 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' ILE . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 28' ' ' ILE . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 46' ' ' LEU . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.644 ' HE1' ' HE1' ' A' ' 59' ' ' MET . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.644 ' HE1' ' HE1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' HD2' ' A' ' 63' ' ' LYS . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 60' ' ' THR . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.578 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG22 HG13 ' A' ' 77' ' ' ILE . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.573 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 86' ' ' LEU . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG2' HD22 ' A' ' 85' ' ' LEU . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.608 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.783 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 ' HE1' ' A' ' 12' ' ' TRP . 8.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 46' ' ' LEU . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.555 ' HB2' HD12 ' A' ' 37' ' ' ILE . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.494 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.599 ' CG2' HD11 ' A' ' 86' ' ' LEU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 40' ' ' ILE . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' ASN . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 57' ' ' THR . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 77' ' ' ILE . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 HG22 ' A' ' 76' ' ' ILE . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.499 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.686 ' N ' HD13 ' A' ' 86' ' ' LEU . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 107' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.621 ' O ' HD12 ' A' ' 112' ' ' LEU . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 108' ' ' GLU . 91.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' OH ' ' A' ' 71' ' ' TYR . 6.1 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 19' ' ' LEU . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 15' ' ' VAL . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.582 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.609 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB2' HD22 ' A' ' 86' ' ' LEU . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 85' ' ' LEU . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.705 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.462 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 63' ' ' LYS . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 60' ' ' THR . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG2' HD21 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.832 ' HG2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.484 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 93' ' ' PRO . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.431 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 26.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.537 HD13 ' HE1' ' A' ' 12' ' ' TRP . 45.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CE2' HD11 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 HD23 ' A' ' 19' ' ' LEU . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 46' ' ' LEU . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 HG12 ' A' ' 15' ' ' VAL . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.49 ' O ' HG11 ' A' ' 41' ' ' VAL . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.712 ' HB2' HD22 ' A' ' 86' ' ' LEU . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 28' ' ' ILE . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HG3' HD21 ' A' ' 85' ' ' LEU . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 18' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.419 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.674 ' ND1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 43' ' ' PRO . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.48 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.539 HG22 ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD11 ' ND1' ' A' ' 70' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 118.02 29.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -130.47 43.15 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.73 -41.4 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -68.96 114.5 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -135.55 176.46 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.91 -59.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -41.83 -39.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 41.13 44.4 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HE1' ' A' ' 12' ' ' TRP . 27.2 mt -113.75 152.6 30.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.06 HD23 ' HB3' ' A' ' 67' ' ' ALA . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.591 ' HE1' HD13 ' A' ' 10' ' ' LEU . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 HD23 ' A' ' 19' ' ' LEU . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 46' ' ' LEU . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.53 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.67 ' CG2' HD11 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' HD22 ' A' ' 86' ' ' LEU . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 28' ' ' ILE . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.464 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 63' ' ' LYS . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' H ' HG23 ' A' ' 60' ' ' THR . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.06 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.727 ' CE2' HD11 ' A' ' 104' ' ' LEU . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.597 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -70.48 -31.22 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -115.16 28.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.6 mtt -90.77 94.2 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -158.82 170.29 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.38 102.49 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -128.39 -63.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -152.81 131.14 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.77 37.02 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -89.52 164.23 14.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -37.41 -43.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 108' ' ' GLU . 23.5 mm-40 -39.75 -54.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' GLU . 6.8 m-70 -36.32 -40.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.9 36.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 105' ' ' GLU . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 112' ' ' LEU . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 109' ' ' SER . 60.9 mt -126.36 -45.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 147.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.73 142.05 8.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.47 18.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 p -95.31 -12.18 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 m 38.85 44.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -93.72 108.76 20.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.76 131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m -137.56 147.04 44.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -39.53 -53.11 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.71 -124.22 5.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -117.58 144.7 44.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.48 38.14 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? -37.61 121.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.008 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.622 ' CD1' HD21 ' A' ' 46' ' ' LEU . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 15' ' ' VAL . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HB2' HD22 ' A' ' 86' ' ' LEU . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 28' ' ' ILE . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 46' ' ' LEU . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.008 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.88 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.9 t-80 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.897 ' CE1' HD21 ' A' ' 104' ' ' LEU . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 HG13 ' A' ' 77' ' ' ILE . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.578 HD11 ' HE1' ' A' ' 89' ' ' PHE . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 -75.94 -47.12 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' MET . 21.1 mt -62.06 -32.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 96' ' ' ILE . 17.9 mmt -34.71 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.7 m -70.24 127.3 32.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.25 116.84 5.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -93.11 -58.45 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.7 m -108.26 -52.4 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.16 101.24 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -45.65 112.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.897 HD21 ' CE1' ' A' ' 71' ' ' TYR . 2.1 tt -83.54 37.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 1.1 mp0 -99.58 -39.81 8.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' LEU . 3.8 m170 -37.92 -58.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.88 HD21 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mm? -33.67 -40.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt -59.17 145.77 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 p -97.85 151.83 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.7 140.14 11.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.72 24.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 t -77.27 -57.44 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.3 p -101.37 123.75 45.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -111.96 105.85 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 m -75.39 100.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.28 96.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -133.51 -51.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -49.87 114.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.11 143.93 5.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.86 133.04 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.869 HD11 ' HA ' ' A' ' 105' ' ' GLU . 9.0 mp -52.0 170.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 ' HB3' ' A' ' 67' ' ' ALA . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 19' ' ' LEU . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG2' HD11 ' A' ' 86' ' ' LEU . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB2' HD22 ' A' ' 86' ' ' LEU . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' ILE . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 49' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.609 ' HZ2' HD11 ' A' ' 112' ' ' LEU . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 113' ' ' SER . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 68' ' ' LEU . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.948 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 5.6 t60 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.596 ' HA ' HD12 ' A' ' 74' ' ' LEU . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 104' ' ' LEU . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD13 HD13 ' A' ' 96' ' ' ILE . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HB3' HD23 ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.613 ' N ' HD13 ' A' ' 86' ' ' LEU . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -82.09 -29.34 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 96' ' ' ILE . 7.4 mt -93.13 21.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mtt -95.31 179.52 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' GLY . 23.3 t 53.23 43.24 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.46 150.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -115.09 -54.08 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.506 HG23 ' OD2' ' A' ' 102' ' ' ASP . 9.4 t -122.19 -14.74 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.506 ' OD2' HG23 ' A' ' 101' ' ' THR . 22.6 m-20 -140.05 109.51 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.18 132.29 50.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD11 HD13 ' A' ' 74' ' ' LEU . 1.9 mm? -67.83 -21.22 65.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 10' ' ' LEU . 54.2 mm-40 -48.54 -33.68 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -41.99 -37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 111' ' ' GLU . 4.2 mm? -84.82 28.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 105' ' ' GLU . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.658 ' HB3' HD13 ' A' ' 107' ' ' LEU . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 107' ' ' LEU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.609 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 14.3 mt -157.96 143.69 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 61.8 p -56.29 103.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -144.25 -154.96 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -64.0 -55.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 p 37.98 41.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.491 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -102.28 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -93.05 42.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.49 -116.51 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -157.8 131.26 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -107.31 131.69 53.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -43.72 2.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.4 88.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -144.34 112.97 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' OH ' ' A' ' 71' ' ' TYR . 5.4 mp -63.42 -178.01 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.051 HD23 ' HB3' ' A' ' 67' ' ' ALA . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.863 ' CE2' HD11 ' A' ' 18' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.965 HG11 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 14' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 86' ' ' LEU . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.965 ' CE2' HG11 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' HD13 ' A' ' 112' ' ' LEU . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.051 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' O ' ' ND2' ' A' ' 75' ' ' ASN . 0.2 OUTLIER 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.706 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.417 HD11 ' HE3' ' A' ' 12' ' ' TRP . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 86' ' ' LEU . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -81.91 -49.43 10.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 96' ' ' ILE . 4.3 mp -57.34 -46.15 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.5 mtt -38.36 -42.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m -103.84 106.14 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.68 -40.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 72.95 35.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.501 HG22 ' OD1' ' A' ' 102' ' ' ASP . 25.6 m -159.82 126.31 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' OD1' HG22 ' A' ' 101' ' ' THR . 6.7 p-10 39.52 50.96 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ASP . 6.4 mtm105 -34.93 134.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 104' ' ' LEU . 0.7 OUTLIER -71.43 -21.17 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -57.26 -28.03 62.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -45.9 -28.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.02 31.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.494 HD13 ' HE3' ' A' ' 54' ' ' LYS . 83.4 mt -39.97 -60.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -166.33 120.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' HA3' ' HD2' ' A' ' 115' ' ' PRO . . . -88.45 -147.85 15.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.1 Cg_endo -69.75 -31.6 20.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' PRO . 79.7 p -34.86 125.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.4 m -100.07 104.57 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -150.29 157.66 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -160.16 127.39 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.45 130.91 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -134.11 169.23 17.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -107.87 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.03 -117.76 1.09 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.18 75.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -58.04 -51.74 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? -57.07 134.28 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.028 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.755 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.631 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.754 ' CG2' HD11 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.682 ' HB ' HD22 ' A' ' 85' ' ' LEU . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.487 ' CE ' HD12 ' A' ' 46' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' HD23 ' A' ' 68' ' ' LEU . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.028 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 104' ' ' LEU . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.751 ' HG3' HD12 ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' A' ' 40' ' ' ILE . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 96' ' ' ILE . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 -90.74 -44.94 9.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 92' ' ' THR . 2.5 mp -88.0 29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 mmt -96.67 -20.21 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -124.8 104.21 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -149.04 -161.85 9.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.656 ' HD2' HG22 ' A' ' 101' ' ' THR . 2.0 tmm_? -54.14 144.81 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.656 HG22 ' HD2' ' A' ' 100' ' ' ARG . 5.8 t -40.66 -35.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -128.23 68.66 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -111.36 -53.91 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 74' ' ' LEU . 13.1 tp -116.65 -39.39 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -58.89 -23.25 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -68.33 -11.28 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.61 23.8 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.441 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -48.46 -30.46 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 49.92 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.07 -173.1 38.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.54 14.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 p -136.62 128.77 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.5 m 60.87 42.26 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -116.25 122.99 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -72.97 114.85 11.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 173.66 13.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -81.03 104.96 11.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -113.45 94.64 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.84 -87.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -136.33 127.62 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -98.04 -59.08 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 71' ' ' TYR . 9.6 mp -66.65 178.1 1.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.798 ' CE2' HD11 ' A' ' 18' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.798 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' HB3' HD23 ' A' ' 46' ' ' LEU . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.615 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.6 OUTLIER -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.615 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' OD1' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' GLU . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' HG23 ' A' ' 60' ' ' THR . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 10' ' ' LEU . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.1 t30 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 96' ' ' ILE . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.624 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HE ' HD11 ' A' ' 37' ' ' ILE . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' PHE . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.47 HG23 ' HD2' ' A' ' 93' ' ' PRO . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.85 -58.19 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.606 ' CD1' HG23 ' A' ' 76' ' ' ILE . 21.3 mt -48.5 -38.78 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 99' ' ' GLY . 15.4 mmt -34.99 -63.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' MET . 55.1 p -36.94 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 97' ' ' MET . . . -90.51 84.57 1.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -113.65 -45.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -121.79 -49.5 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -116.94 90.71 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -113.07 154.6 26.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 71' ' ' TYR . 1.1 pp -120.45 16.15 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.65 -41.56 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -46.76 -27.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.91 31.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt -130.13 27.93 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t 51.63 45.74 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.14 144.57 48.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 115.76 4.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.5 p -110.83 101.24 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t 60.74 42.12 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -127.46 177.67 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -83.35 -49.4 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.12 -127.33 2.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -44.76 115.49 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -111.95 122.95 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.63 44.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.5 m -70.15 108.45 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -109.41 162.09 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 105' ' ' GLU . 62.7 mt -61.39 167.86 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 38' ' ' PHE . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 46' ' ' LEU . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.636 ' CG2' HD11 ' A' ' 86' ' ' LEU . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.776 ' HB2' HD22 ' A' ' 86' ' ' LEU . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 40' ' ' ILE . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.631 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.631 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.485 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.732 ' CE1' HD13 ' A' ' 104' ' ' LEU . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 104' ' ' LEU . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 104' ' ' LEU . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 68' ' ' LEU . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HB3' HD23 ' A' ' 86' ' ' LEU . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' N ' HD13 ' A' ' 86' ' ' LEU . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -41.68 94.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.98 -30.51 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 mmt -72.27 -174.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t 42.03 45.09 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.79 -153.25 15.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.41 177.02 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 102' ' ' ASP . 8.8 t -40.51 -42.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 101' ' ' THR . 29.7 t70 -108.99 120.6 43.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLU . 5.1 tpm_? -162.09 155.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 74' ' ' LEU . 3.1 pp -42.2 -23.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.571 ' HG2' HD11 ' A' ' 10' ' ' LEU . 42.5 mt-10 -46.33 -38.41 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -40.74 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' GLU . 88.7 mt -84.38 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' GLU . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' CD ' ' HB3' ' A' ' 107' ' ' LEU . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt -48.23 -55.31 10.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -154.1 142.53 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.1 -79.11 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.36 2.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -39.44 146.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 t -57.64 132.88 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p 43.96 42.84 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -72.21 93.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.77 165.52 27.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -124.25 -45.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -103.41 89.14 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 88.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.12 -58.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 50.43 25.81 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD13 ' HE1' ' A' ' 12' ' ' TRP . 6.6 mt -78.46 179.87 6.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.614 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.65 ' O ' HG21 ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.782 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.684 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HB2' HD22 ' A' ' 86' ' ' LEU . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 28' ' ' ILE . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' HE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD13 HD23 ' A' ' 104' ' ' LEU . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.614 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.83 -36.63 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.32 -45.8 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 31.5 mtt -52.14 101.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -113.38 -57.7 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.42 45.88 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -111.25 156.79 20.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 102' ' ' ASP . 8.9 t -39.28 -44.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 101' ' ' THR . 5.7 t70 -116.45 89.74 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -136.87 164.29 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD23 HD13 ' A' ' 74' ' ' LEU . 2.5 tm? -33.75 -38.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 108' ' ' GLU . 2.0 tt0 -39.07 -49.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLU . 47.5 t-80 -34.79 -41.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.64 37.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 105' ' ' GLU . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.09 174.4 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -106.43 116.54 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.02 89.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.68 59.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -99.06 -47.53 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -69.41 105.22 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -136.17 122.16 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -108.59 122.11 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.85 169.07 24.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -129.8 42.3 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -110.21 92.96 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 38.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.94 42.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -67.48 -49.88 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 71' ' ' TYR . 15.8 mt -44.69 169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.048 HD23 ' HB3' ' A' ' 67' ' ' ALA . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG12 HD23 ' A' ' 19' ' ' LEU . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.643 HD23 HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CD2' HD22 ' A' ' 18' ' ' LEU . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' HG11 ' A' ' 41' ' ' VAL . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' HG23 ' A' ' 41' ' ' VAL . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HB2' HG22 ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.477 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 31' ' ' GLU . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 40' ' ' ILE . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 28' ' ' ILE . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 18' ' ' LEU . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.576 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.048 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG23 ' CD1' ' A' ' 96' ' ' ILE . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.62 ' N ' HD13 ' A' ' 86' ' ' LEU . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' HD11 ' A' ' 96' ' ' ILE . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 95' ' ' GLU . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 -85.47 -51.7 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' HG23 ' A' ' 76' ' ' ILE . 66.4 mt -51.92 -36.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.6 mmt -34.5 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 96' ' ' ILE . 83.7 p -164.0 136.68 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.02 66.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -108.35 -39.91 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.7 m -122.13 -61.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.05 -29.29 43.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 45.46 49.8 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 104' ' ' LEU . 4.4 tt -52.54 -33.1 43.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' GLU . 3.5 mm-40 -45.19 -43.0 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -40.33 -33.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt -84.69 32.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.86 -32.57 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t 65.61 43.19 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.02 72.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 103.36 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -157.27 138.62 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.9 p -87.85 134.17 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -125.3 114.6 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.49 166.01 23.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.42 95.9 2.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -81.81 15.79 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -147.16 142.54 27.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.42 -93.87 2.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.1 m -144.19 132.95 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -114.42 44.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' HE1' ' A' ' 12' ' ' TRP . 13.5 mt -147.11 170.72 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.978 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG12 HD23 ' A' ' 19' ' ' LEU . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.65 ' CD1' HD21 ' A' ' 46' ' ' LEU . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 15' ' ' VAL . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 18' ' ' LEU . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 41' ' ' VAL . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 38' ' ' PHE . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 86' ' ' LEU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.675 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 26' ' ' ASN . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 1.9 p80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' CE ' HD11 ' A' ' 112' ' ' LEU . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.477 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 60' ' ' THR . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.425 ' HA ' HD23 ' A' ' 68' ' ' LEU . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.978 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 111' ' ' GLU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.69 ' CD1' HD22 ' A' ' 104' ' ' LEU . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 71' ' ' TYR . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 12' ' ' TRP . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.594 ' O ' HD12 ' A' ' 96' ' ' ILE . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HA ' ' CE ' ' A' ' 97' ' ' MET . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 -72.2 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 96' ' ' ILE . 4.8 mp -42.52 -45.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 94' ' ' ASP . 10.1 mtm -34.92 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -79.69 112.04 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.12 -116.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' ASP . 39.0 mtt85 -128.44 78.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 100' ' ' ARG . 13.5 t 35.98 32.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 100' ' ' ARG . 23.5 t0 -173.94 116.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 104' ' ' LEU . 13.8 mmt180 -146.97 111.04 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER 34.47 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.04 -44.96 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.84 -13.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -95.91 16.76 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.552 HD11 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt -42.86 -52.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -166.35 132.78 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.75 138.02 14.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.96 7.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 p -130.62 -45.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 87.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -116.72 93.78 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -61.29 89.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.85 176.48 46.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -109.5 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -115.22 40.9 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.64 -114.81 4.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.9 p -160.52 167.81 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -132.29 133.5 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 108' ' ' GLU . 8.4 mt -73.66 157.1 37.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.128 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.609 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 37' ' ' ILE . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.46 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.674 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.59 ' HB2' HD22 ' A' ' 86' ' ' LEU . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' ILE . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.619 ' HA ' HD23 ' A' ' 68' ' ' LEU . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.128 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 104' ' ' LEU . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 104' ' ' LEU . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 77' ' ' ILE . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 76' ' ' ILE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.609 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.76 -35.85 75.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' MET . 3.8 mp -72.86 -42.03 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ILE . 7.1 mmt -34.14 -39.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.8 m -118.68 134.43 55.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.23 -171.09 36.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' THR . 51.6 mtt85 -109.13 178.0 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 100' ' ' ARG . 70.3 m -38.23 -66.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.3 81.01 0.36 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLU . 17.4 mmt180 -151.01 -175.05 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.746 HD11 ' CD1' ' A' ' 71' ' ' TYR . 9.6 tp -62.03 80.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ARG . 23.1 mm-40 -143.69 -175.01 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 47.25 24.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 111' ' ' GLU . 28.0 mt -129.32 -32.09 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt -154.38 162.27 41.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -77.08 83.65 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.22 149.79 19.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -108.72 113.17 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -163.28 167.89 21.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -98.42 80.78 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -79.85 79.98 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 81.17 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -56.15 94.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -94.89 112.37 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 85.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.5 t -130.56 136.69 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -138.32 151.18 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 104' ' ' LEU . 7.8 mp -54.61 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.086 HD23 ' HB3' ' A' ' 67' ' ' ALA . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.822 ' CH2' HD11 ' A' ' 96' ' ' ILE . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.975 ' CE2' HD11 ' A' ' 18' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG12 HD23 ' A' ' 19' ' ' LEU . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.975 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' A' ' 38' ' ' PHE . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.634 ' CG2' HD11 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 28' ' ' ILE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.823 ' HB2' HD22 ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 46' ' ' LEU . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 28' ' ' ILE . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.637 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 3.2 p80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.637 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.086 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CB ' HD11 ' A' ' 107' ' ' LEU . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.684 ' OH ' HD23 ' A' ' 10' ' ' LEU . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.527 HG22 HG13 ' A' ' 77' ' ' ILE . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.529 HD11 ' HE3' ' A' ' 12' ' ' TRP . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HG2' HD12 ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.542 HD12 ' HG2' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.637 ' N ' HD13 ' A' ' 86' ' ' LEU . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 94' ' ' ASP . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 92' ' ' THR . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 -92.94 -42.32 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.822 HD11 ' CH2' ' A' ' 12' ' ' TRP . 2.8 pp -61.61 -17.06 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.568 ' N ' HD12 ' A' ' 96' ' ' ILE . 14.1 ptp -87.51 79.37 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -113.76 130.25 56.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.18 -100.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -128.11 -71.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 102' ' ' ASP . 26.8 m -158.62 139.54 12.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 101' ' ' THR . 16.7 t0 34.12 51.37 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.91 -175.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.844 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.3 tt 51.27 49.46 21.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 108' ' ' GLU . 15.1 mt-10 -82.88 -43.92 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLU . 14.3 t-80 -33.27 -47.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 70' ' ' HIS . 4.3 mm? -59.98 -46.58 88.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 105' ' ' GLU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' NZ ' ' A' ' 54' ' ' LYS . 72.6 mt -125.44 159.43 31.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 156.11 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.17 83.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.6 41.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -122.9 -9.51 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 m -168.83 173.04 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 171.75 14.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -169.71 177.82 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -124.15 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 71.41 44.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.01 43.34 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.76 49.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.1 m -131.0 113.98 14.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -150.43 115.32 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.657 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.7 mm? -66.48 151.9 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 67' ' ' ALA . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' HD23 ' A' ' 46' ' ' LEU . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 86' ' ' LEU . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' NH2' ' A' ' 39' ' ' ARG . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 68' ' ' LEU . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.972 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 104' ' ' LEU . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.596 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.514 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 95' ' ' GLU . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' H ' HG22 ' A' ' 92' ' ' THR . 45.1 mm-40 -86.15 -42.72 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 96' ' ' ILE . 2.8 pp -71.22 -13.75 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.491 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mtt -75.78 50.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -107.96 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.72 46.38 6.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -75.38 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.0 t -98.52 -23.97 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -172.04 124.72 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -73.47 155.93 38.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.601 ' CD1' HD13 ' A' ' 74' ' ' LEU . 12.9 tp -106.83 45.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.51 -36.16 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -51.82 -28.93 17.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.7 33.56 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.534 ' HA ' HD13 ' A' ' 10' ' ' LEU . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.677 ' HA ' HD12 ' A' ' 112' ' ' LEU . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 109' ' ' SER . 48.5 mt -138.84 130.44 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -75.51 116.53 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.81 81.21 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 85.71 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.6 p -47.27 -51.01 20.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.1 t -58.29 120.46 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -135.03 171.97 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -72.39 175.19 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 128.57 10.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -120.09 -45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -154.94 175.4 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.71 -95.61 1.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.9 p -89.21 146.79 24.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.53 140.31 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 104' ' ' LEU . 9.0 mt -63.52 -179.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.119 HD23 ' HB3' ' A' ' 67' ' ' ALA . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.75 HG12 HD23 ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 46' ' ' LEU . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' PHE . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB2' HD22 ' A' ' 86' ' ' LEU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 40' ' ' ILE . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.622 ' CE1' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.494 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.119 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.616 HD12 HD13 ' A' ' 77' ' ' ILE . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.804 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 104' ' ' LEU . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t30 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.616 HD13 HD12 ' A' ' 68' ' ' LEU . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.654 ' HG2' HD23 ' A' ' 86' ' ' LEU . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.654 HD23 ' HG2' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 95' ' ' GLU . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 -70.68 -33.69 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.448 HG12 HD13 ' A' ' 104' ' ' LEU . 4.5 mp -88.96 -45.6 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 49.8 mtt -37.04 -37.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -120.84 102.86 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA3' ' NE ' ' A' ' 103' ' ' ARG . . . -143.46 -150.37 5.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -113.74 -175.02 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.6 t -56.14 -19.75 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.47 69.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' NE ' ' HA3' ' A' ' 99' ' ' GLY . 17.7 mmt-85 -119.8 -174.86 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 74' ' ' LEU . 3.3 mp -84.16 88.25 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 108' ' ' GLU . 1.5 pt-20 -131.98 -55.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.416 ' O ' ' OE1' ' A' ' 108' ' ' GLU . 2.2 m-70 -42.91 -23.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 mp -87.51 22.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.834 ' HG2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -81.6 -66.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -65.64 87.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.06 -155.01 6.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.0 64.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 117' ' ' SER . 17.7 m -89.94 129.53 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' SER . 58.5 p 37.62 44.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 47.1 42.11 12.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.22 57.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -83.92 98.7 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -88.12 86.96 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 -52.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -57.1 129.58 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -155.91 -177.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.4 mm? -43.78 127.61 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.066 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 46' ' ' LEU . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.425 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CG ' HD22 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.647 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.735 ' HB2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' NH1' ' A' ' 39' ' ' ARG . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 46' ' ' LEU . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.421 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.066 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 77' ' ' ILE . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NE ' ' HG2' ' A' ' 90' ' ' MET . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.476 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.94 -53.27 58.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.3 mp -63.41 -45.24 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.3 mmt -34.7 -43.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -118.11 96.24 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.23 126.02 8.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -89.0 -50.89 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -112.77 -54.47 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.66 82.48 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -70.56 150.43 46.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 96' ' ' ILE . 13.8 tp -117.48 45.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -99.72 -41.35 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.87 -37.87 53.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt -86.72 30.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt -61.26 162.77 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -110.0 168.32 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 156.94 104.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.79 -11.66 31.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.1 m -104.84 138.97 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.3 t -125.85 -49.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -88.52 156.24 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -43.63 -50.88 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -58.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -115.47 -46.18 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -137.09 135.16 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 89.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -147.67 137.81 22.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -130.57 114.64 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' A' ' 12' ' ' TRP . 98.4 mt -140.6 -179.64 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.091 HD23 ' HB3' ' A' ' 67' ' ' ALA . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 1.011 ' CE2' HD11 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 HD23 ' A' ' 19' ' ' LEU . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.011 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.466 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HB2' HD12 ' A' ' 37' ' ' ILE . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.553 ' CG2' HD11 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 28' ' ' ILE . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 18' ' ' LEU . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.429 ' ND1' ' N ' ' A' ' 54' ' ' LYS . 6.7 p80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' HE3' ' CZ2' ' A' ' 50' ' ' TRP . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' HD23 ' A' ' 68' ' ' LEU . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.091 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 1.048 ' CE1' HD12 ' A' ' 104' ' ' LEU . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 95' ' ' GLU . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 -82.24 -56.95 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.3 mp -63.7 -41.29 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.5 mtm -34.49 -40.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -135.78 107.47 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.91 82.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 101' ' ' THR . 2.4 tpm_? -153.26 113.24 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 100' ' ' ARG . 86.0 m -33.88 -66.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -90.99 94.67 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.19 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.048 HD12 ' CE1' ' A' ' 71' ' ' TYR . 1.5 pt? -58.14 -21.2 45.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' HD23 ' A' ' 104' ' ' LEU . 10.6 mp0 -49.81 -32.48 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -43.7 -30.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? -84.01 32.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.78 147.49 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -81.72 147.17 29.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.06 85.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -124.34 93.27 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.6 t -53.07 -58.16 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 60.07 41.96 16.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -145.57 142.42 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.25 -139.74 34.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -52.21 128.07 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 122.79 3.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.1 m -55.86 -66.94 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -157.59 123.94 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD21 ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt -52.04 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 19' ' ' LEU . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 46' ' ' LEU . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 15' ' ' VAL . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.669 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' ILE . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 28' ' ' ILE . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 46' ' ' LEU . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.644 ' HE1' ' HE1' ' A' ' 59' ' ' MET . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.644 ' HE1' ' HE1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' HD2' ' A' ' 63' ' ' LYS . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 60' ' ' THR . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.578 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 104' ' ' LEU . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG22 HG13 ' A' ' 77' ' ' ILE . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.573 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 86' ' ' LEU . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG2' HD22 ' A' ' 85' ' ' LEU . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.608 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -52.46 -51.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.0 mp -64.67 -54.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.3 mmt -34.37 -52.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -40.72 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.13 79.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -119.87 -69.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -83.28 165.3 19.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' THR . 30.7 t70 -33.59 104.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 102' ' ' ASP . 56.2 mtp180 -33.69 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.551 HD11 HD13 ' A' ' 74' ' ' LEU . 2.3 tt -55.82 -32.24 63.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -40.04 -31.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -46.96 -44.59 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.8 39.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.783 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.51 157.32 34.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -94.17 105.01 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.97 -156.92 8.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.0 Cg_endo -69.83 2.97 3.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -34.39 135.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.8 p -46.96 130.48 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -128.34 114.73 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -120.97 153.07 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.05 155.61 27.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -151.68 157.42 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -129.85 114.17 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.74 146.13 5.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.2 m -89.35 134.95 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -114.63 87.69 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 ' HE1' ' A' ' 12' ' ' TRP . 8.5 mt -146.37 -175.3 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 46' ' ' LEU . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.555 ' HB2' HD12 ' A' ' 37' ' ' ILE . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.494 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.599 ' CG2' HD11 ' A' ' 86' ' ' LEU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 40' ' ' ILE . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' ASN . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 57' ' ' THR . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 77' ' ' ILE . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 HG22 ' A' ' 76' ' ' ILE . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.499 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.686 ' N ' HD13 ' A' ' 86' ' ' LEU . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 -70.93 -58.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' MET . 19.4 mt -39.48 -40.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' ILE . 11.1 mmt -33.74 -40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.9 p -81.02 104.51 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' H ' ' CZ ' ' A' ' 103' ' ' ARG . . . -135.42 -155.21 7.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -128.3 -69.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' ASP . 1.4 t -82.31 178.72 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' THR . 1.1 m-20 -34.91 104.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HD12 ' A' ' 104' ' ' LEU . 15.1 mmt-85 -62.76 83.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER 35.88 36.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.47 -41.38 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.567 ' H ' ' CD2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -50.09 -24.09 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -84.83 25.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.621 ' O ' HD12 ' A' ' 112' ' ' LEU . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 108' ' ' GLU . 91.8 mt -153.96 136.85 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -57.46 147.9 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.73 -175.17 18.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 178.1 4.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.6 m -91.99 -62.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -53.57 -61.81 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -104.9 119.59 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 p -49.06 -48.72 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.86 156.88 16.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -126.62 99.75 5.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -69.64 -49.11 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.07 106.12 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 9' ' ' ARG . 31.3 p -88.07 46.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 8' ' ' CYS . 8.9 mmm180 -145.41 112.65 6.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' OH ' ' A' ' 71' ' ' TYR . 6.1 mp -92.72 169.59 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.659 ' NE1' HD21 ' A' ' 104' ' ' LEU . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 19' ' ' LEU . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 15' ' ' VAL . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.582 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.609 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB2' HD22 ' A' ' 86' ' ' LEU . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 85' ' ' LEU . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.705 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.462 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 63' ' ' LYS . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 60' ' ' THR . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG2' HD21 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.832 ' HG2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.484 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 92' ' ' THR . 5.2 mp -78.41 -49.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 16.5 mtt -34.42 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 96' ' ' ILE . 5.3 t -102.69 81.59 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.88 156.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.639 ' HD2' HG22 ' A' ' 101' ' ' THR . 1.6 tmm_? -172.25 151.65 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 100' ' ' ARG . 3.7 t -46.13 -21.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.55 ' OD1' HG23 ' A' ' 101' ' ' THR . 7.6 m-20 -133.66 97.41 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -38.56 134.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.659 HD21 ' NE1' ' A' ' 12' ' ' TRP . 26.6 tp -113.35 -12.73 12.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.67 38.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -122.42 -34.15 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.18 21.4 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.431 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 26.3 mt -144.67 172.07 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -87.91 -63.15 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.84 -177.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.29 8.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 t -130.36 88.6 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -71.47 108.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -162.18 118.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -168.24 172.34 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 42.71 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -87.84 142.87 27.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -160.78 135.31 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.83 62.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.5 m -133.02 138.56 46.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.355 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -119.66 155.37 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.537 HD13 ' HE1' ' A' ' 12' ' ' TRP . 45.0 mt -115.35 162.13 17.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CE2' HD11 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 HD23 ' A' ' 19' ' ' LEU . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 46' ' ' LEU . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 HG12 ' A' ' 15' ' ' VAL . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.49 ' O ' HG11 ' A' ' 41' ' ' VAL . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.712 ' HB2' HD22 ' A' ' 86' ' ' LEU . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 28' ' ' ILE . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HG3' HD21 ' A' ' 85' ' ' LEU . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 18' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.553 ' CE1' ' HD3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.419 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.674 ' ND1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.641 ' CE2' HD11 ' A' ' 104' ' ' LEU . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 43' ' ' PRO . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.48 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.539 HG22 ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 97' ' ' MET . 15.3 mt -81.1 -44.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 96' ' ' ILE . 67.3 mtt -34.21 -48.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' GLY . 37.0 t -46.7 136.77 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.99 116.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -131.45 174.94 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.1 m -60.33 -58.68 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.38 128.57 38.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -88.14 113.35 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 71' ' ' TYR . 1.5 tm? -58.78 -33.09 69.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -45.42 -27.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -56.42 -39.35 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD11 ' ND1' ' A' ' 70' ' ' HIS . 3.3 mm? -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt -50.33 -51.96 40.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -172.43 158.47 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.6 -95.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.8 t -96.81 132.65 42.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.2 m -140.48 154.27 46.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HE1' ' A' ' 12' ' ' TRP . 27.2 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.06 HD23 ' HB3' ' A' ' 67' ' ' ALA . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.591 ' HE1' HD13 ' A' ' 10' ' ' LEU . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 HD23 ' A' ' 19' ' ' LEU . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.675 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 46' ' ' LEU . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.53 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.67 ' CG2' HD11 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' HD22 ' A' ' 86' ' ' LEU . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 28' ' ' ILE . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.464 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 63' ' ' LYS . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' H ' HG23 ' A' ' 60' ' ' THR . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.06 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.585 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.597 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 112' ' ' LEU . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 109' ' ' SER . 60.9 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.008 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.622 ' CD1' HD21 ' A' ' 46' ' ' LEU . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 15' ' ' VAL . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HB2' HD22 ' A' ' 86' ' ' LEU . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 28' ' ' ILE . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 46' ' ' LEU . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.008 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.676 ' NE2' HD21 ' A' ' 107' ' ' LEU . 8.4 t60 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.599 ' CE2' ' HB1' ' A' ' 67' ' ' ALA . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 HG13 ' A' ' 77' ' ' ILE . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.578 HD11 ' HE1' ' A' ' 89' ' ' PHE . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.676 HD21 ' NE2' ' A' ' 70' ' ' HIS . 3.8 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.802 0.334 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 ' HB3' ' A' ' 67' ' ' ALA . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 19' ' ' LEU . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG2' HD11 ' A' ' 86' ' ' LEU . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB2' HD22 ' A' ' 86' ' ' LEU . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' ILE . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 49' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.609 ' HZ2' HD11 ' A' ' 112' ' ' LEU . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 68' ' ' LEU . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.948 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 5.6 t60 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.596 ' HA ' HD12 ' A' ' 74' ' ' LEU . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HB3' HD23 ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.613 ' N ' HD13 ' A' ' 86' ' ' LEU . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 111' ' ' GLU . 4.2 mm? . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.793 0.33 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.658 ' HB3' HD13 ' A' ' 107' ' ' LEU . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 107' ' ' LEU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.609 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 14.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' OH ' ' A' ' 71' ' ' TYR . 5.4 mp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.051 HD23 ' HB3' ' A' ' 67' ' ' ALA . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.863 ' CE2' HD11 ' A' ' 18' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.965 HG11 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 14' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 86' ' ' LEU . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.965 ' CE2' HG11 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' HD13 ' A' ' 112' ' ' LEU . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.051 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.706 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.417 HD11 ' HE3' ' A' ' 12' ' ' TRP . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 86' ' ' LEU . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.819 0.342 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.494 HD13 ' HE3' ' A' ' 54' ' ' LYS . 83.4 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.84 0.352 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.028 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.755 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.631 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.754 ' CG2' HD11 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.682 ' HB ' HD22 ' A' ' 85' ' ' LEU . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.644 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.487 ' CE ' HD12 ' A' ' 46' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' HD23 ' A' ' 68' ' ' LEU . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.028 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.751 ' HG3' HD12 ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' A' ' 40' ' ' ILE . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.798 0.332 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.441 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 71' ' ' TYR . 9.6 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.798 ' CE2' HD11 ' A' ' 18' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.798 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' HB3' HD23 ' A' ' 46' ' ' LEU . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.4 p-80 -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' OD1' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' GLU . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' HG23 ' A' ' 60' ' ' THR . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 10' ' ' LEU . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.429 HH21 ' HE1' ' A' ' 90' ' ' MET . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.624 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HE ' HD11 ' A' ' 37' ' ' ILE . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.429 ' HE1' HH21 ' A' ' 78' ' ' ARG . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.47 HG23 ' HD2' ' A' ' 93' ' ' PRO . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 71' ' ' TYR . 62.7 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 38' ' ' PHE . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 46' ' ' LEU . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.636 ' CG2' HD11 ' A' ' 86' ' ' LEU . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.776 ' HB2' HD22 ' A' ' 86' ' ' LEU . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 40' ' ' ILE . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.485 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.571 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 71' ' ' TYR . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 68' ' ' LEU . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HB3' HD23 ' A' ' 86' ' ' LEU . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.623 ' N ' HD13 ' A' ' 86' ' ' LEU . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 88.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.403 ' CD ' ' HB3' ' A' ' 107' ' ' LEU . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.612 HD13 ' HE1' ' A' ' 12' ' ' TRP . 6.6 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.614 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.65 ' O ' HG21 ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.782 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.684 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HB2' HD22 ' A' ' 86' ' ' LEU . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 28' ' ' ILE . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.597 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.829 0.347 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 71' ' ' TYR . 15.8 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.048 HD23 ' HB3' ' A' ' 67' ' ' ALA . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG12 HD23 ' A' ' 19' ' ' LEU . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.643 HD23 HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CD2' HD22 ' A' ' 18' ' ' LEU . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' HG11 ' A' ' 41' ' ' VAL . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' HG23 ' A' ' 41' ' ' VAL . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HB2' HG22 ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.477 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 31' ' ' GLU . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 40' ' ' ILE . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 28' ' ' ILE . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 18' ' ' LEU . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.576 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.534 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.1 p-80 -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.048 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.62 ' N ' HD13 ' A' ' 86' ' ' LEU . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 95' ' ' GLU . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' HE1' ' A' ' 12' ' ' TRP . 13.5 mt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.978 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.605 HG12 HD23 ' A' ' 19' ' ' LEU . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.65 ' CD1' HD21 ' A' ' 46' ' ' LEU . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 15' ' ' VAL . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 18' ' ' LEU . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 41' ' ' VAL . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 38' ' ' PHE . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 86' ' ' LEU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.675 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 26' ' ' ASN . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.3 p-80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.552 ' CE ' HD11 ' A' ' 112' ' ' LEU . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.477 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 60' ' ' THR . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.425 ' HA ' HD23 ' A' ' 68' ' ' LEU . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.978 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 111' ' ' GLU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 71' ' ' TYR . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 12' ' ' TRP . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 95' ' ' GLU . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.772 0.32 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.552 HD11 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 108' ' ' GLU . 8.4 mt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.128 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.609 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 37' ' ' ILE . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.46 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.674 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.59 ' HB2' HD22 ' A' ' 86' ' ' LEU . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' ILE . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.482 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.619 ' HA ' HD23 ' A' ' 68' ' ' LEU . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.128 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 77' ' ' ILE . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 76' ' ' ILE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.609 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 111' ' ' GLU . 28.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.684 HD23 ' OH ' ' A' ' 71' ' ' TYR . 7.8 mp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.867 0.365 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.086 HD23 ' HB3' ' A' ' 67' ' ' ALA . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.582 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.975 ' CE2' HD11 ' A' ' 18' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.652 HG12 HD23 ' A' ' 19' ' ' LEU . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.975 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' A' ' 38' ' ' PHE . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.634 ' CG2' HD11 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 28' ' ' ILE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.823 ' HB2' HD22 ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 46' ' ' LEU . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 28' ' ' ILE . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 2.8 p-80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.086 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CB ' HD11 ' A' ' 107' ' ' LEU . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.684 ' OH ' HD23 ' A' ' 10' ' ' LEU . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.527 HG22 HG13 ' A' ' 77' ' ' ILE . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.529 HD11 ' HE3' ' A' ' 12' ' ' TRP . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HG2' HD12 ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.542 HD12 ' HG2' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.637 ' N ' HD13 ' A' ' 86' ' ' LEU . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 94' ' ' ASP . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 92' ' ' THR . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 70' ' ' HIS . 4.3 mm? . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.722 0.296 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' LEU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' NZ ' ' A' ' 54' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.657 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.7 mm? . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 67' ' ' ALA . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' HD23 ' A' ' 46' ' ' LEU . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 86' ' ' LEU . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' NH2' ' A' ' 39' ' ' ARG . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 68' ' ' LEU . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.972 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.596 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.514 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.564 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 95' ' ' GLU . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' H ' HG22 ' A' ' 92' ' ' THR . 45.1 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.534 ' HA ' HD13 ' A' ' 10' ' ' LEU . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.677 ' HA ' HD12 ' A' ' 112' ' ' LEU . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 109' ' ' SER . 48.5 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.119 HD23 ' HB3' ' A' ' 67' ' ' ALA . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.75 HG12 HD23 ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 46' ' ' LEU . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.75 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' PHE . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB2' HD22 ' A' ' 86' ' ' LEU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 40' ' ' ILE . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.549 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.494 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.119 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.616 HD12 HD13 ' A' ' 77' ' ' ILE . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.804 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.616 HD13 HD12 ' A' ' 68' ' ' LEU . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.654 ' HG2' HD23 ' A' ' 86' ' ' LEU . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.654 HD23 ' HG2' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.517 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 95' ' ' GLU . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.752 0.311 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.437 ' HG2' ' N ' ' A' ' 109' ' ' SER . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.834 ' HG2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.4 mm? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.066 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 46' ' ' LEU . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.425 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CG ' HD22 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.478 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.647 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.735 ' HB2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' NH1' ' A' ' 39' ' ' ARG . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 46' ' ' LEU . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.421 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.066 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 111' ' ' GLU . 15.5 m-70 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 77' ' ' ILE . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NE ' ' HG2' ' A' ' 90' ' ' MET . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.476 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.753 0.311 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.561 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' A' ' 12' ' ' TRP . 98.4 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.091 HD23 ' HB3' ' A' ' 67' ' ' ALA . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 1.011 ' CE2' HD11 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 HD23 ' A' ' 19' ' ' LEU . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 1.011 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.466 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HB2' HD12 ' A' ' 37' ' ' ILE . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.553 ' CG2' HD11 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 28' ' ' ILE . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 18' ' ' LEU . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 3.9 p-80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' HD23 ' A' ' 68' ' ' LEU . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.091 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' HA ' HD12 ' A' ' 74' ' ' LEU . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 95' ' ' GLU . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.805 0.336 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.783 HD21 ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 19' ' ' LEU . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 46' ' ' LEU . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 15' ' ' VAL . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.669 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' ILE . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 28' ' ' ILE . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 46' ' ' LEU . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.644 ' HE1' ' HE1' ' A' ' 59' ' ' MET . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.644 ' HE1' ' HE1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' HD2' ' A' ' 63' ' ' LYS . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 60' ' ' THR . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.578 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG22 HG13 ' A' ' 77' ' ' ILE . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.573 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 86' ' ' LEU . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG2' HD22 ' A' ' 85' ' ' LEU . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.608 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.794 0.33 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.783 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 ' HE1' ' A' ' 12' ' ' TRP . 8.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 46' ' ' LEU . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.555 ' HB2' HD12 ' A' ' 37' ' ' ILE . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.494 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.599 ' CG2' HD11 ' A' ' 86' ' ' LEU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 40' ' ' ILE . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' ASN . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 57' ' ' THR . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.452 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 77' ' ' ILE . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 HG22 ' A' ' 76' ' ' ILE . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.499 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.686 ' N ' HD13 ' A' ' 86' ' ' LEU . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.411 ' N ' HD13 ' A' ' 107' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.736 0.303 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.621 ' O ' HD12 ' A' ' 112' ' ' LEU . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 108' ' ' GLU . 91.8 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' OH ' ' A' ' 71' ' ' TYR . 6.1 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.579 ' HB3' ' CD2' ' A' ' 71' ' ' TYR . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 19' ' ' LEU . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 15' ' ' VAL . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.582 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.609 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB2' HD22 ' A' ' 86' ' ' LEU . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 85' ' ' LEU . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.705 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.462 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 63' ' ' LYS . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 60' ' ' THR . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG2' HD21 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.832 ' HG2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.484 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.43 HG23 ' HD2' ' A' ' 93' ' ' PRO . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.431 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 26.3 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.537 HD13 ' HE1' ' A' ' 12' ' ' TRP . 45.0 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CE2' HD11 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 HD23 ' A' ' 19' ' ' LEU . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 46' ' ' LEU . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 HG12 ' A' ' 15' ' ' VAL . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.49 ' O ' HG11 ' A' ' 41' ' ' VAL . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.712 ' HB2' HD22 ' A' ' 86' ' ' LEU . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 28' ' ' ILE . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HG3' HD21 ' A' ' 85' ' ' LEU . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 18' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.1 p-80 -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.419 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.674 ' ND1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 12' ' ' TRP . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 43' ' ' PRO . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.476 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.48 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.539 HG22 ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.674 HD11 ' ND1' ' A' ' 70' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.738 0.304 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -120.03 118.02 29.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -130.47 43.15 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.73 -41.4 5.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -68.96 114.5 7.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -135.55 176.46 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.91 -59.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.6 p -41.83 -39.67 1.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 41.13 44.4 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 HD13 ' HE1' ' A' ' 12' ' ' TRP . 27.2 mt -113.75 152.6 30.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.06 HD23 ' HB3' ' A' ' 67' ' ' ALA . 24.4 tp -84.09 -68.83 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.591 ' HE1' HD13 ' A' ' 10' ' ' LEU . 3.5 p-90 -34.23 -41.2 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 15' ' ' VAL . 40.7 t0 -74.96 -45.77 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 25.6 t80 -39.95 -25.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG12 HD23 ' A' ' 19' ' ' LEU . 45.8 t -59.24 -67.19 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -41.6 -58.22 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -38.26 -35.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 84.9 mt -79.59 -57.19 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.675 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.14 -56.89 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 m -43.21 -46.21 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -85.76 108.78 18.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.7 m -59.14 -30.86 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -53.31 -16.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.467 ' CD2' HD22 ' A' ' 18' ' ' LEU . 9.2 m-85 -107.9 30.92 5.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.44 -55.75 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -41.92 -37.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 46' ' ' LEU . 49.7 m-85 -81.55 -45.57 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.404 ' HA ' HG23 ' A' ' 41' ' ' VAL . 14.2 tt -156.0 137.77 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -139.46 172.61 12.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.53 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 40.6 m95 -83.51 114.52 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -70.36 -59.82 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -134.36 83.76 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.482 ' HD3' ' CG ' ' A' ' 30' ' ' TRP . 3.5 mmmp? -46.71 -28.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -52.1 -42.59 63.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -119.08 30.34 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.2 mttm 43.5 45.12 5.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.67 ' CG2' HD11 ' A' ' 86' ' ' LEU . 72.1 mt -94.38 126.29 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.75 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -122.03 164.22 18.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.7 ' HB2' HD22 ' A' ' 86' ' ' LEU . 11.4 ttm180 -150.84 136.3 17.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.8 mt -76.52 103.12 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 28' ' ' ILE . 56.4 t -54.06 -49.95 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 0.8 OUTLIER -137.01 107.34 8.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.881 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.78 -42.01 3.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -54.42 -39.93 67.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.31 -46.31 4.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.699 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -50.17 -51.55 42.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.1 -46.85 65.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.099 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -41.7 -53.36 3.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.7 -41.32 77.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 35.2 t-105 -66.4 -39.91 89.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -83.77 -18.35 63.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -72.77 -59.73 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 2.0 p-80 -66.53 -18.26 65.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -88.41 9.19 24.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.0 t30 49.5 30.49 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -90.02 -178.31 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.3 m -131.92 135.87 46.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 m120 45.73 45.77 11.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.464 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 53.3 tpp -60.13 110.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.465 HG23 ' H ' ' A' ' 63' ' ' LYS . 5.1 t -98.53 154.7 17.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.34 -33.22 74.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -53.1 -60.36 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' H ' HG23 ' A' ' 60' ' ' THR . 23.9 mtpp -66.34 -10.53 43.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -81.59 -63.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.6 p -49.62 -19.49 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -47.92 -23.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.06 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -85.28 -69.06 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -34.29 -33.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.8 mmm180 -63.85 -54.04 41.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' ALA . 23.0 m-70 -46.91 -41.68 16.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.727 ' CE2' HD11 ' A' ' 104' ' ' LEU . 53.2 m-85 -66.45 -41.29 89.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -43.33 -33.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -37.28 67.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 71' ' ' TYR . 8.4 mt -70.59 -4.42 23.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 67.1 46.79 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 56.1 mt -111.89 -42.21 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.2 mt -125.04 147.26 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -123.06 128.68 50.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -97.57 107.21 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.19 138.29 20.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.56 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.54 -70.49 0.95 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 4.8 mm100 -50.5 -178.23 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -116.78 -51.48 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mp -114.57 48.56 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -105.27 133.15 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.597 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.3 m-85 -132.52 129.55 39.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -115.4 121.56 43.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.75 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 12.9 m-85 -80.27 89.78 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 75.7 mtp -58.45 -66.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -95.59 154.06 17.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HD2' ' A' ' 93' ' ' PRO . 53.5 m -62.35 137.54 96.08 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.578 0.704 . . . . 0.0 111.141 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.6 Cg_endo -69.76 -42.53 3.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.296 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.44 -12.78 46.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -70.48 -31.22 68.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -115.16 28.16 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.118 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.6 mtt -90.77 94.2 9.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -158.82 170.29 22.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -158.38 102.49 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -128.39 -63.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 97.5 m -152.81 131.14 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 47.77 37.02 6.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 mmp_? -89.52 164.23 14.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.727 HD11 ' CE2' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -37.41 -43.65 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 108' ' ' GLU . 23.5 mm-40 -39.75 -54.46 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 105' ' ' GLU . 6.8 m-70 -36.32 -40.57 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.0 mt -82.9 36.25 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 105' ' ' GLU . 1.9 pp20? -93.0 -36.23 12.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.663 ' HA ' HD12 ' A' ' 112' ' ' LEU . 61.4 p -128.98 32.75 4.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -103.62 -63.8 1.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.454 ' CD ' ' O ' ' A' ' 111' ' ' GLU . 2.3 pp20? -76.21 48.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.663 HD12 ' HA ' ' A' ' 109' ' ' SER . 60.9 mt -126.36 -45.76 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 147.01 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 111.73 142.05 8.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.47 18.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 p -95.31 -12.18 26.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.1 m 38.85 44.44 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -93.72 108.76 20.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 p -103.73 147.79 26.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.76 131.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 m -137.56 147.04 44.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -39.53 -53.11 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.71 -124.22 5.72 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 p -117.58 144.7 44.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.48 38.14 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.0 mm? -37.61 121.97 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.008 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.6 tp -39.36 -63.91 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 8.0 p-90 -37.72 -39.21 0.33 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.52 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.3 OUTLIER -79.59 -42.69 24.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 8.7 t80 -41.19 -24.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 38' ' ' PHE . 92.0 t -59.37 -63.15 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.5 OUTLIER -42.93 -57.52 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 37.7 mt-30 -36.31 -34.32 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.622 ' CD1' HD21 ' A' ' 46' ' ' LEU . 94.2 mt -81.46 -53.65 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.7 mm? -38.9 -53.2 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.0 t -45.9 -51.58 12.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -74.96 97.29 3.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.0 m -49.61 -26.8 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -51.72 -23.83 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 18' ' ' LEU . 16.3 m-85 -100.65 31.79 3.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.446 ' CD ' ' HB2' ' A' ' 29' ' ' ARG . 4.1 mm-40 -72.2 -34.07 68.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -70.24 -28.49 65.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -91.82 -44.02 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.766 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.4 tt -160.1 122.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.154 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' HB2' ' CD ' ' A' ' 25' ' ' GLU . 4.3 ptt180 -129.86 164.61 23.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.493 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 31.3 m95 -71.86 124.17 24.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -87.27 -51.29 6.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -134.49 86.35 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 11.1 mmtt -54.56 -23.3 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.94 79.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -115.57 24.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? 43.67 48.95 6.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 86' ' ' LEU . 65.0 mt -100.71 127.64 53.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 15' ' ' VAL . 9.4 p90 -121.59 158.83 27.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HB2' HD22 ' A' ' 86' ' ' LEU . 12.8 ttm180 -143.22 125.89 15.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.707 HG12 HD12 ' A' ' 28' ' ' ILE . 28.9 mt -73.99 91.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.4 t -46.67 -51.81 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 7.3 t70 -131.91 101.87 15.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 54.0 Cg_endo -69.71 -29.93 23.31 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -63.16 -37.35 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA2' ' NE ' ' A' ' 48' ' ' ARG . . . -92.79 -8.01 62.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.765 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.2 tm? -93.54 -46.17 7.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.01 -51.17 64.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' NE ' ' HA2' ' A' ' 45' ' ' GLY . 3.2 ptt180 -46.78 -47.71 20.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 46' ' ' LEU . 14.7 mt -55.98 -46.06 78.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 12.4 t-105 -62.36 -48.07 81.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -54.79 26.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -56.27 -38.15 70.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -53.13 -49.49 66.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.22 22.4 2.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 52.58 49.4 20.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.2 mmm-85 -105.52 176.2 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.65 138.83 38.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 57.07 43.78 23.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.559 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 36.3 tpp -77.23 120.4 22.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.92 152.75 31.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -58.27 -25.14 61.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -59.32 -42.59 91.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -88.08 -15.7 35.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ARG . 5.0 ttp -72.52 -56.81 4.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' ARG . 81.6 p -37.09 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.834 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 64' ' ' MET . 5.7 mmm180 -34.4 -63.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.008 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -49.7 -69.66 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.587 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 0.9 OUTLIER -36.62 -54.64 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 20.2 ttp180 -51.02 -67.0 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.676 ' NE2' HD21 ' A' ' 107' ' ' LEU . 8.4 t60 -43.79 -32.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.897 ' CE1' HD21 ' A' ' 104' ' ' LEU . 23.9 m-85 -78.99 -36.85 40.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -43.3 -50.73 6.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -63.68 -31.57 72.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 71' ' ' TYR . 7.5 mt -72.0 -2.8 19.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.1 t30 69.19 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.549 HG22 HG13 ' A' ' 77' ' ' ILE . 66.4 mt -108.69 -42.5 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.578 HD11 ' HE1' ' A' ' 89' ' ' PHE . 34.0 mt -142.07 134.81 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.144 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -117.24 126.04 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -79.1 100.54 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.5 134.25 70.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.7 15.95 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.23 -52.8 2.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.473 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 57.6 mm-40 -73.48 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -105.15 -67.17 0.93 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -105.21 52.36 0.74 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -101.42 125.15 48.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 30.0 m-85 -128.92 144.88 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.0 ttt85 -129.34 117.96 21.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.6 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.1 m-85 -78.94 92.34 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.4 mtm -69.49 -72.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -72.39 142.86 48.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.639 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.7 m -62.47 138.75 96.56 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.544 0.688 . . . . 0.0 111.166 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.639 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.9 Cg_endo -69.81 -49.57 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.225 . . . . 0.0 112.352 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -56.7 -24.36 48.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.3 tp10 -75.94 -47.12 26.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 97' ' ' MET . 21.1 mt -62.06 -32.95 56.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 96' ' ' ILE . 17.9 mmt -34.71 -72.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 73.7 m -70.24 127.3 32.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.25 116.84 5.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -93.11 -58.45 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 85.7 m -108.26 -52.4 2.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -128.16 101.24 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -45.65 112.55 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.897 HD21 ' CE1' ' A' ' 71' ' ' TYR . 2.1 tt -83.54 37.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' A' ' 105' ' ' GLU . 1.1 mp0 -99.58 -39.81 8.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 107' ' ' LEU . 3.8 m170 -37.92 -58.6 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.676 HD21 ' NE2' ' A' ' 70' ' ' HIS . 3.8 mm? -33.67 -40.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 107' ' ' LEU . 46.9 mt-10 -34.08 -48.08 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.7 t -128.07 42.94 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -113.98 -67.99 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' OE1' ' NH2' ' A' ' 66' ' ' ARG . 7.9 mm-40 -59.23 -43.91 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.3 mt -59.17 145.77 41.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 p -97.85 151.83 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -131.7 140.14 11.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -8.72 24.33 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.1 t -77.27 -57.44 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.3 p -101.37 123.75 45.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -111.96 105.85 14.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 m -75.39 100.71 4.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.28 96.24 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -133.51 -51.45 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -49.87 114.06 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.11 143.93 5.32 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.54 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -112.86 133.04 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -139.98 166.33 24.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.869 HD11 ' HA ' ' A' ' 105' ' ' GLU . 9.0 mp -52.0 170.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.948 HD23 ' HB3' ' A' ' 67' ' ' ALA . 13.0 tp -84.02 -70.88 0.54 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.3 p-90 -33.43 -41.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 15' ' ' VAL . 27.0 t0 -76.63 -44.6 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.864 ' CE2' HD11 ' A' ' 18' ' ' LEU . 46.2 t80 -39.94 -25.58 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 19' ' ' LEU . 80.1 t -57.9 -66.66 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.138 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.9 t80 -39.79 -60.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 16' ' ' TYR . 17.5 mt-30 -35.15 -40.25 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.864 HD11 ' CE2' ' A' ' 14' ' ' TYR . 57.5 mt -74.99 -59.37 2.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -36.68 -51.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 t -52.93 -47.3 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.34 111.28 14.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 25' ' ' GLU . 94.7 p -59.8 -42.07 92.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -41.48 -27.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.0 m-85 -100.78 35.6 2.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 22' ' ' SER . 15.7 mt-10 -76.95 -55.18 5.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -48.38 -27.5 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -85.83 -43.49 13.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.673 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.6 tt -158.19 128.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -132.6 172.81 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.505 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 71.0 m95 -84.21 120.7 26.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.56 -56.75 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.89 84.06 2.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.2 mmtt -46.5 -31.12 2.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -45.98 -46.26 16.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.3 m -119.54 32.9 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? 43.08 52.29 5.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.503 ' CG2' HD11 ' A' ' 86' ' ' LEU . 67.8 mt -100.58 128.29 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.769 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 37.6 p90 -126.55 167.56 15.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.726 ' HB2' HD22 ' A' ' 86' ' ' LEU . 6.8 ttm180 -152.06 126.09 9.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 40' ' ' ILE . 34.8 mt -63.87 97.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 HG23 ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -50.76 -43.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -146.22 104.94 4.09 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.527 0.679 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.93 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.32 -27.15 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -93.06 -41.34 4.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 49' ' ' LEU . 35.0 tp -65.97 -49.35 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.57 -50.02 5.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -45.67 -39.89 8.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.816 HD12 HD12 ' A' ' 46' ' ' LEU . 3.7 mt -66.98 -46.89 73.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.609 ' HZ2' HD11 ' A' ' 112' ' ' LEU . 6.5 t-105 -64.55 -35.45 81.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -83.1 -28.32 37.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -67.62 -67.03 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -56.17 -18.58 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -90.11 15.26 10.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 47.07 29.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 113' ' ' SER . 26.8 mmt180 -96.31 177.23 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.8 m -139.51 141.7 37.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 m120 57.39 40.42 27.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.407 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 54.5 tpp -64.57 110.91 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 45.6 p -102.37 142.81 32.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -53.63 -35.0 60.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -55.92 -41.7 74.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.88 -10.67 59.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.9 ttp -89.65 -54.6 3.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.549 ' HA ' HD23 ' A' ' 68' ' ' LEU . 97.1 p -48.7 -29.46 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -41.25 -66.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.948 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.8 -66.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.2 mm? -34.31 -44.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -59.0 -57.06 14.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 5.6 t60 -47.07 -30.6 2.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.596 ' HA ' HD12 ' A' ' 74' ' ' LEU . 87.3 m-85 -83.43 -34.89 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -46.72 -47.26 20.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -62.98 -33.91 76.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 104' ' ' LEU . 7.9 mt -68.8 -1.89 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.5 m120 63.93 47.71 3.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.486 HD13 HD13 ' A' ' 96' ' ' ILE . 97.5 mt -115.95 -36.5 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 7.1 mt -132.04 134.18 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -112.27 114.2 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -88.49 99.23 12.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -41.87 135.49 2.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -18.41 36.91 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.673 2.249 . . . . 0.0 112.343 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.54 -75.64 1.04 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.52 ' HB3' HD23 ' A' ' 86' ' ' LEU . 10.1 mm-40 -39.45 130.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 85' ' ' LEU . 27.2 mmt180 -71.7 145.51 48.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 84' ' ' ARG . 3.0 mp 35.16 35.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.726 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -89.87 135.24 33.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.613 ' N ' HD13 ' A' ' 86' ' ' LEU . 27.0 m-85 -135.95 138.38 42.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 -122.61 117.38 25.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 18.8 m-85 -73.1 77.19 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' PHE . 11.0 mtm -34.62 -70.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -102.69 159.58 15.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.515 ' CG2' ' HD2' ' A' ' 93' ' ' PRO . 1.3 m -54.67 138.04 62.28 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.619 0.723 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HD2' ' CG2' ' A' ' 92' ' ' THR . 53.5 Cg_endo -69.76 -17.92 37.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.31 -6.37 41.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -82.09 -29.34 31.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 96' ' ' ILE . 7.4 mt -93.13 21.58 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 61.8 mtt -95.31 179.52 5.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 99' ' ' GLY . 23.3 t 53.23 43.24 31.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.46 150.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -115.09 -54.08 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.897 0.38 . . . . 0.0 110.89 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.506 HG23 ' OD2' ' A' ' 102' ' ' ASP . 9.4 t -122.19 -14.74 7.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.506 ' OD2' HG23 ' A' ' 101' ' ' THR . 22.6 m-20 -140.05 109.51 6.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -104.18 132.29 50.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD11 HD13 ' A' ' 74' ' ' LEU . 1.9 mm? -67.83 -21.22 65.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.869 ' HA ' HD11 ' A' ' 10' ' ' LEU . 54.2 mm-40 -48.54 -33.68 10.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -41.99 -37.64 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.752 HD12 ' CG ' ' A' ' 111' ' ' GLU . 4.2 mm? -84.82 28.35 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 105' ' ' GLU . 6.4 pt-20 -71.75 -30.13 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.3 m -133.78 -33.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.658 ' HB3' HD13 ' A' ' 107' ' ' LEU . 27.3 tt0 -38.81 -69.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.752 ' CG ' HD12 ' A' ' 107' ' ' LEU . 2.8 pp20? -76.87 47.25 0.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.609 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 14.3 mt -157.96 143.69 17.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' CZ ' ' A' ' 56' ' ' ARG . 61.8 p -56.29 103.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -144.25 -154.96 6.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.353 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.9 t -64.0 -55.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.3 p 37.98 41.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.491 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -102.28 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.7 p -93.05 42.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.49 -116.51 0.72 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -157.8 131.26 7.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -107.31 131.69 53.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.97 -43.72 2.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.2 t -63.4 88.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -144.34 112.97 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' OH ' ' A' ' 71' ' ' TYR . 5.4 mp -63.42 -178.01 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.051 HD23 ' HB3' ' A' ' 67' ' ' ALA . 5.8 tp -94.84 -66.61 0.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 4.3 p-90 -36.51 -37.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 8.7 t0 -78.1 -41.17 36.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.863 ' CE2' HD11 ' A' ' 18' ' ' LEU . 30.9 t80 -44.01 -22.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.965 HG11 ' CE2' ' A' ' 38' ' ' PHE . 25.3 t -62.06 -69.05 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.8 t80 -35.58 -61.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -38.08 -41.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.863 HD11 ' CE2' ' A' ' 14' ' ' TYR . 92.8 mt -69.05 -55.43 10.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -39.6 -56.72 1.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.8 t -47.09 -57.55 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -68.97 97.63 0.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 85.1 p -53.41 -27.69 25.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -53.81 -16.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.509 ' CD2' HD22 ' A' ' 18' ' ' LEU . 6.2 m-85 -110.49 29.21 7.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -69.98 -49.11 54.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.24 -36.17 40.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.22 -44.33 17.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 38' ' ' PHE . 16.1 tt -159.87 138.3 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -146.42 159.13 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.571 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 30.7 m95 -61.84 133.57 55.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.31 -56.92 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' GLU . 25.6 m-20 -135.03 72.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.571 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 0.7 OUTLIER -38.38 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' ASP . 26.7 mt-10 -55.29 -47.44 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.66 21.14 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.9 mttm 52.78 43.71 31.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 86' ' ' LEU . 34.7 mt -102.69 142.24 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.965 ' CE2' HG11 ' A' ' 15' ' ' VAL . 10.4 p90 -143.94 173.71 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -149.33 146.61 27.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.541 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -80.07 96.47 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.9 t -45.92 -46.29 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.51 107.14 3.8 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.57 0.7 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -38.93 7.06 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.655 2.237 . . . . 0.0 112.347 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -61.72 -25.6 67.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.5 -44.11 3.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 49' ' ' LEU . 17.0 tp -62.56 -49.19 76.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.16 -42.49 14.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -52.58 -35.58 54.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 46' ' ' LEU . 2.8 mt -70.38 -46.14 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 21.6 t-105 -64.07 -51.71 62.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.47 -53.41 24.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -58.09 -34.76 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.864 0.364 . . . . 0.0 110.902 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -60.72 -51.26 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' HE3' HD13 ' A' ' 112' ' ' LEU . 14.8 mmmt -86.91 37.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' LYS . 34.1 t30 34.61 39.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -102.29 152.6 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 58' ' ' ASN . 22.0 m -112.51 157.97 20.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 57' ' ' THR . 77.3 m-20 42.27 48.29 4.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.474 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 42.7 tpp -75.85 112.07 11.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.32 136.22 46.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -46.46 -22.05 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.51 -40.61 97.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -87.35 -17.02 33.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 2.7 ttp -74.49 -67.31 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 66' ' ' ARG . 8.4 t -37.84 -37.51 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 65' ' ' SER . 5.8 mmt180 -34.25 -55.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.051 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -52.79 -68.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.19 -35.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 2.6 tmm_? -61.93 -63.59 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 69' ' ' ARG . 23.5 m-70 -38.05 -41.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 68.6 m-85 -68.26 -40.08 82.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.8 m-30 -43.4 -50.68 6.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.9 tttt -59.22 -39.79 83.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.6 mt -64.45 -7.41 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 72.45 41.85 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.706 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 35.5 mt -109.66 -45.64 6.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.417 HD11 ' HE3' ' A' ' 12' ' ' TRP . 22.5 mt -126.58 138.91 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -115.78 126.94 54.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -95.16 98.16 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.94 131.61 79.62 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.925 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.1 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.317 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.04 -35.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 13.0 mm-40 -113.72 136.81 52.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -60.59 -70.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.2 mp -95.47 76.22 3.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.1 OUTLIER -135.08 127.13 29.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.458 ' N ' HD13 ' A' ' 86' ' ' LEU . 19.5 m-85 -129.64 145.25 51.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -131.3 121.3 24.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.4 ' CD2' ' HE1' ' A' ' 38' ' ' PHE . 9.2 m-85 -76.84 92.17 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.6 mtp -60.48 -74.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 92' ' ' THR . 19.3 tptt -91.6 151.44 20.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.459 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.5 m -62.3 130.96 93.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.559 0.695 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.52 27.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.339 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -78.68 -7.51 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -81.91 -49.43 10.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 96' ' ' ILE . 4.3 mp -57.34 -46.15 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.108 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.5 mtt -38.36 -42.14 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.1 m -103.84 106.14 16.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -156.68 -40.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? 72.95 35.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.501 HG22 ' OD1' ' A' ' 102' ' ' ASP . 25.6 m -159.82 126.31 4.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.501 ' OD1' HG22 ' A' ' 101' ' ' THR . 6.7 p-10 39.52 50.96 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 102' ' ' ASP . 6.4 mtm105 -34.93 134.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 104' ' ' LEU . 0.7 OUTLIER -71.43 -21.17 62.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -57.26 -28.03 62.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -45.9 -28.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.0 mt -93.02 31.71 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -71.28 -46.28 61.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.7 t -131.35 46.56 2.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -87.29 -57.85 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -67.45 -59.56 3.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.494 HD13 ' HE3' ' A' ' 54' ' ' LYS . 83.4 mt -39.97 -60.86 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.7 t -166.33 120.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' HA3' ' HD2' ' A' ' 115' ' ' PRO . . . -88.45 -147.85 15.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.1 Cg_endo -69.75 -31.6 20.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' PRO . 79.7 p -34.86 125.16 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.4 m -100.07 104.57 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.441 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -150.29 157.66 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -160.16 127.39 4.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.45 130.91 6.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -134.11 169.23 17.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -107.87 170.99 7.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.03 -117.76 1.09 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 94.8 m -104.18 75.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -58.04 -51.74 68.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 12' ' ' TRP . 3.8 mm? -57.07 134.28 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.028 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -64.25 -68.84 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.552 ' CD1' ' HB3' ' A' ' 10' ' ' LEU . 15.9 p-90 -33.91 -38.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 15' ' ' VAL . 10.7 t70 -68.85 -49.6 57.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.755 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.52 -26.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.3 t -56.29 -64.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.136 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -44.55 -55.74 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -38.93 -36.83 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 63.9 mt -74.65 -55.7 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -41.89 -56.35 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.2 m -44.86 -50.62 10.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -80.17 105.16 11.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 75.2 m -55.18 -35.57 64.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -46.68 -20.66 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.631 ' CD2' HD22 ' A' ' 18' ' ' LEU . 4.8 m-85 -106.75 34.24 3.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 21.3 mt-10 -76.51 -48.0 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -52.96 -28.57 24.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD2' HD11 ' A' ' 49' ' ' LEU . 40.9 m-85 -87.75 -45.81 10.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 16.8 tt -159.16 121.75 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -123.62 171.4 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.475 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 26.1 m95 -76.82 121.01 22.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.5 -61.61 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 34' ' ' GLU . 1.8 m-20 -134.98 77.02 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -38.93 -28.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' ASP . 5.6 mm-40 -52.76 -46.39 67.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 m -117.19 34.05 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.9 mttm 40.94 49.08 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.754 ' CG2' HD11 ' A' ' 86' ' ' LEU . 61.4 mt -101.26 135.38 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -130.2 162.52 28.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HB2' HD22 ' A' ' 86' ' ' LEU . 17.2 ttm180 -143.53 118.63 10.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.682 ' HB ' HD22 ' A' ' 85' ' ' LEU . 18.8 mt -61.75 99.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.0 t -49.78 -45.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -142.21 115.03 6.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -40.88 4.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -64.31 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.79 -35.58 24.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.644 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -69.43 -53.8 17.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.28 -57.95 2.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.108 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -40.16 -56.28 1.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD11 ' CD2' ' A' ' 27' ' ' PHE . 62.5 mt -47.79 -45.48 29.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 14.8 t-105 -66.02 -52.34 50.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.498 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -68.19 -12.95 63.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.517 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -80.55 -61.54 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.7 OUTLIER -68.76 -12.35 61.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 30.5 mmmt -93.58 4.08 54.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 60.08 49.84 7.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -133.68 117.1 16.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.9 m -87.44 137.04 32.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 70.52 44.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 35.5 tpp -81.32 124.35 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 p -105.47 154.84 19.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.25 -39.73 76.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -50.12 -47.58 53.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -66.77 -15.34 63.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.487 ' CE ' HD12 ' A' ' 46' ' ' LEU . 5.9 ttp -86.94 -60.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.572 ' HA ' HD23 ' A' ' 68' ' ' LEU . 60.3 p -46.96 -22.79 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.441 ' HB3' ' CD ' ' A' ' 111' ' ' GLU . 19.8 mmm-85 -53.77 -43.13 68.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.028 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -66.92 -66.31 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.755 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.2 mm? -34.52 -40.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.425 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 41.3 mtt180 -67.15 -56.34 10.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -46.58 -20.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 90.1 m-85 -91.24 -29.68 17.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.9 m-30 -47.34 -38.96 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -28.34 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' CD1' ' A' ' 104' ' ' LEU . 5.7 mt -82.41 15.21 2.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 51.34 44.56 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.2 mt -109.32 -36.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.426 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 61.4 mt -142.32 131.04 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.4 tpt85 -111.73 109.67 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 19.3 tttm -65.82 107.42 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.751 ' HG3' HD12 ' A' ' 86' ' ' LEU . 5.4 mm-40 -45.07 141.11 3.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.623 0.725 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.58 68.71 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.326 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.41 -59.88 2.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.0 mp0 -58.43 176.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.14 -49.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.682 HD22 ' HB ' ' A' ' 40' ' ' ILE . 5.1 mt -105.03 57.06 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.754 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -136.85 125.88 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 5.3 m-85 -133.92 153.61 51.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' NE ' ' SD ' ' A' ' 90' ' ' MET . 10.3 ptt180 -132.46 128.67 37.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 53.3 m-85 -76.83 72.89 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.41 ' SD ' ' NE ' ' A' ' 88' ' ' ARG . 44.4 mmm -38.92 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.8 tttp -95.26 152.43 18.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.537 ' O ' HD12 ' A' ' 96' ' ' ILE . 14.5 t -62.93 140.8 97.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.555 0.693 . . . . 0.0 111.17 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.278 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -69.16 -8.02 41.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.47 ' CG ' ' CG2' ' A' ' 92' ' ' THR . 3.6 mm-40 -90.74 -44.94 9.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.537 HD12 ' O ' ' A' ' 92' ' ' THR . 2.5 mp -88.0 29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 mmt -96.67 -20.21 18.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -124.8 104.21 8.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -149.04 -161.85 9.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.656 ' HD2' HG22 ' A' ' 101' ' ' THR . 2.0 tmm_? -54.14 144.81 18.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.909 0.385 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.656 HG22 ' HD2' ' A' ' 100' ' ' ARG . 5.8 t -40.66 -35.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.131 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -128.23 68.66 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.822 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -111.36 -53.91 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 74' ' ' LEU . 13.1 tp -116.65 -39.39 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -58.89 -23.25 60.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.4 t-160 -68.33 -11.28 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 mt -112.61 23.8 13.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.82 -41.74 13.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 110' ' ' GLN . 22.3 t -110.09 -48.87 3.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 109' ' ' SER . 44.8 tt0 -34.65 -55.46 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.441 ' CD ' ' HB3' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -56.21 -54.81 40.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.877 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.3 mt -48.46 -30.46 5.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m 46.3 49.92 12.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -77.07 -173.1 38.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.522 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 171.54 14.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.372 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.4 p -136.62 128.77 29.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.5 m 60.87 42.26 13.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -116.25 122.99 46.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -72.97 114.85 11.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.54 173.66 13.03 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -81.03 104.96 11.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -113.45 94.64 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.84 -87.74 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.5 p -136.33 127.62 28.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.78 0.324 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -98.04 -59.08 1.83 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 71' ' ' TYR . 9.6 mp -66.65 178.1 1.4 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.9 tp -93.63 -64.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 p-90 -34.15 -39.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' VAL . 13.1 p-10 -81.37 -45.91 15.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.858 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.798 ' CE2' HD11 ' A' ' 18' ' ' LEU . 1.9 t80 -39.18 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.483 ' N ' ' O ' ' A' ' 13' ' ' ASP . 91.9 t -52.45 -69.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' VAL . 4.2 t80 -35.48 -60.12 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' TYR . 12.9 mp0 -35.27 -43.25 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.798 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -67.91 -62.79 1.24 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.4 mm? -36.86 -51.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 19' ' ' LEU . 47.8 t -36.0 -64.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.5 156.56 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.7 p -106.54 -11.93 15.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -87.23 3.21 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 2.1 m-85 -109.51 -11.85 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -39.78 -59.03 1.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -41.48 -35.54 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' HB3' HD23 ' A' ' 46' ' ' LEU . 11.7 m-85 -86.78 -39.7 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.428 ' O ' HG23 ' A' ' 28' ' ' ILE . 14.9 tt -161.19 121.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -127.03 165.08 20.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.502 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 19.4 m95 -69.18 121.61 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.442 ' HG3' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -76.73 -61.02 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 34' ' ' GLU . 15.0 m-20 -135.0 84.54 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER -45.43 -21.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 32' ' ' ASP . 30.6 mt-10 -65.16 -40.18 93.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 m -119.3 29.13 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm 42.04 43.49 2.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.624 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -95.82 136.78 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -125.41 165.4 18.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -144.64 107.32 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.7 mt -57.07 94.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -49.47 -50.31 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.22 106.66 11.24 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 54.2 Cg_endo -69.77 -36.17 11.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 0.0 112.374 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -63.18 -45.18 92.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.5 -32.15 48.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 18' ' ' LEU . 0.6 OUTLIER -73.69 -56.83 4.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -42.16 -47.89 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -48.69 -37.51 18.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 46' ' ' LEU . 10.0 mt -67.43 -40.06 85.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.579 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 20.1 t-105 -68.7 -38.69 80.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -79.94 -21.37 65.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.468 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -73.98 -66.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.4 p-80 -57.99 -14.65 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 18.8 mmmt -93.61 15.32 16.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 48.42 27.85 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -95.64 -175.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.49 HG22 ' OD1' ' A' ' 58' ' ' ASN . 10.1 m -144.09 147.67 34.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER 48.29 48.91 18.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 63' ' ' LYS . 53.1 tpp -83.5 115.53 22.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' GLU . 12.6 t -112.3 140.99 46.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 68.2 t80 -40.24 -35.37 0.4 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.943 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.552 ' HB3' HG23 ' A' ' 60' ' ' THR . 41.7 tt0 -50.0 -46.14 52.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.481 ' CE ' ' HA ' ' A' ' 59' ' ' MET . 12.1 mtmt -78.62 -13.07 60.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 66' ' ' ARG . 6.1 ttp -81.62 -69.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.646 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.6 t -35.63 -32.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 64' ' ' MET . 41.7 mtt180 -38.72 -66.73 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -42.5 -65.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.082 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -34.35 -40.23 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.575 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 6.0 tmm_? -58.91 -68.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -40.55 -33.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 10' ' ' LEU . 68.1 m-85 -71.72 -40.7 69.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 15.1 m-30 -43.95 -50.43 8.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -53.92 -41.62 67.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 mt -64.83 -6.71 8.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.42 46.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.606 HG23 ' CD1' ' A' ' 96' ' ' ILE . 42.8 mt -113.67 -42.09 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -128.37 139.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.429 HH21 ' HE1' ' A' ' 90' ' ' MET . 2.7 tpp85 -123.85 111.99 16.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -81.28 114.2 19.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -64.65 137.0 97.0 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.656 0.741 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -49.2 0.59 Allowed 'Trans proline' 0 N--CA 1.466 -0.136 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -41.08 -63.58 1.49 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -78.71 176.67 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.0 -74.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 43' ' ' PRO . 6.3 mp -93.28 63.53 3.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.624 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -117.46 133.91 55.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.584 ' N ' HD13 ' A' ' 86' ' ' LEU . 12.9 m-85 -136.22 140.41 43.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' HE ' HD11 ' A' ' 37' ' ' ILE . 16.6 ttm180 -118.57 115.6 24.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 3.9 m-85 -69.02 71.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.429 ' HE1' HH21 ' A' ' 78' ' ' ARG . 65.1 mtp -36.04 -72.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.6 tptt -92.8 160.83 14.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.47 HG23 ' HD2' ' A' ' 93' ' ' PRO . 91.9 m -71.28 134.7 84.78 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.564 0.697 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.7 Cg_endo -69.74 -46.37 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.05 -12.16 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -92.85 -58.19 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.606 ' CD1' HG23 ' A' ' 76' ' ' ILE . 21.3 mt -48.5 -38.78 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.479 ' O ' ' N ' ' A' ' 99' ' ' GLY . 15.4 mmt -34.99 -63.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' MET . 55.1 p -36.94 93.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 97' ' ' MET . . . -90.51 84.57 1.32 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -113.65 -45.01 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.0 m -121.79 -49.5 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -116.94 90.71 3.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -113.07 154.6 26.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 71' ' ' TYR . 1.1 pp -120.45 16.15 12.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.65 -41.56 73.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.5 m-70 -46.76 -27.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -83.91 31.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 109' ' ' SER . 17.2 pt-20 -77.74 -50.6 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 108' ' ' GLU . 46.2 t -110.86 61.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.509 ' O ' ' N ' ' A' ' 112' ' ' LEU . 19.1 tt0 -128.17 166.57 18.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' CD ' ' O ' ' A' ' 110' ' ' GLN . 1.9 pp20? 36.65 29.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 110' ' ' GLN . 43.7 mt -130.13 27.93 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 t 51.63 45.74 27.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.14 144.57 48.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 115.76 4.24 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 55.5 p -110.83 101.24 9.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t 60.74 42.12 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -127.46 177.67 6.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.819 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -83.35 -49.4 9.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.12 -127.33 2.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -44.76 115.49 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 m -111.95 122.95 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.63 44.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 77.5 m -70.15 108.45 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.2 mtt85 -109.41 162.09 14.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD11 ' HG2' ' A' ' 105' ' ' GLU . 62.7 mt -61.39 167.86 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.981 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.3 tp -85.34 -69.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD2' ' N ' ' A' ' 13' ' ' ASP . 2.0 p-90 -35.14 -44.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.599 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 5.6 t0 -69.9 -48.13 59.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.456 ' CE1' HD11 ' A' ' 18' ' ' LEU . 2.4 t80 -41.61 -24.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.485 HG11 ' CE2' ' A' ' 38' ' ' PHE . 47.2 t -57.07 -66.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.133 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 15' ' ' VAL . 5.7 t80 -36.61 -59.67 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' TYR . 68.4 mm-40 -35.37 -42.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 HD13 HD21 ' A' ' 46' ' ' LEU . 70.1 mt -70.52 -54.45 12.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD13 ' HA ' ' A' ' 19' ' ' LEU . 1.3 mm? -46.01 -53.09 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 t -41.58 -46.91 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -87.1 117.91 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.4 m -64.86 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.1 mtt-85 -47.35 -24.58 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' A' ' 18' ' ' LEU . 7.5 m-85 -103.41 33.42 3.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -45.98 -30.87 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -85.73 -41.71 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.9 tt -160.88 124.06 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -128.66 171.24 12.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.422 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 56.2 m95 -79.11 121.53 25.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -84.75 -49.04 8.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 3.2 t70 -134.43 83.05 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.4 mmtp -50.61 -36.62 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -57.15 -43.6 82.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.0 m -109.1 22.67 15.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 43.2 mttp 44.11 49.14 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.636 ' CG2' HD11 ' A' ' 86' ' ' LEU . 80.0 mt -97.09 127.63 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.9 p90 -121.11 162.26 20.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.776 ' HB2' HD22 ' A' ' 86' ' ' LEU . 24.8 ttp180 -149.22 130.75 14.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' O ' ' A' ' 40' ' ' ILE . 54.1 mt -74.88 92.9 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.2 t -47.07 -46.21 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -136.3 105.0 9.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.571 0.7 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' A' ' 85' ' ' LEU . 53.6 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -53.59 -43.39 68.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.96 -48.87 6.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.563 HD21 HD13 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -50.07 -55.74 13.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 110.937 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.77 -45.42 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 52' ' ' ASN . 39.7 mmm-85 -47.91 -43.49 28.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.5 mt -66.94 -43.06 84.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.571 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 18.3 t-105 -65.9 -30.97 71.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.56 -21.56 26.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 48' ' ' ARG . 5.7 m-20 -66.03 -61.71 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.42 -12.56 61.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 18.1 mmmt -88.91 11.96 16.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 55.9 42.19 29.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -133.24 99.17 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.0 t -73.68 -0.56 15.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -131.65 61.62 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.485 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 63.7 tpp -105.74 121.74 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.0 t -118.27 136.58 53.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.474 ' O ' ' N ' ' A' ' 64' ' ' MET . 86.2 t80 -38.37 -42.51 0.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -41.23 -49.13 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -76.54 -20.3 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 61' ' ' TYR . 6.0 ttp -75.49 -57.26 3.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ARG . 17.0 t -50.21 -45.68 53.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' SER . 31.3 mtt85 -34.46 -47.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.981 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -56.68 -69.06 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.5 mm? -34.99 -53.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 11.0 mmt180 -49.29 -68.06 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -39.58 -38.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.732 ' CE1' HD13 ' A' ' 104' ' ' LEU . 25.7 m-85 -72.59 -36.75 68.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.9 m-30 -43.35 -44.65 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -61.53 -32.85 72.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.77 HD13 HD22 ' A' ' 104' ' ' LEU . 7.9 mt -76.37 6.71 5.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.4 m120 60.25 42.52 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.923 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.441 HD11 HD22 ' A' ' 104' ' ' LEU . 53.6 mt -104.3 -40.74 6.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 68' ' ' LEU . 30.9 mt -138.81 151.0 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -125.73 116.81 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 42.9 tttm -89.97 97.45 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -48.49 139.07 11.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.659 0.742 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -29.68 23.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -85.26 -87.33 0.93 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.555 ' HB3' HD23 ' A' ' 86' ' ' LEU . 18.1 mm100 -35.53 138.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.778 0.323 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' LEU . 62.3 mtp180 -77.01 146.32 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' ARG . 6.0 mp 34.57 40.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -90.71 134.65 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.623 ' N ' HD13 ' A' ' 86' ' ' LEU . 17.8 m-85 -130.99 139.24 49.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -126.63 119.35 26.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -79.21 95.46 5.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 10.8 mtp -68.52 -71.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -78.45 157.28 29.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.1 m -64.17 134.04 95.82 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.3 6.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.327 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.15 -26.91 69.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -41.68 94.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -58.98 -30.51 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 mmt -72.27 -174.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.6 t 42.03 45.09 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -83.79 -153.25 15.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.41 177.02 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 102' ' ' ASP . 8.8 t -40.51 -42.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' N ' HG23 ' A' ' 101' ' ' THR . 29.7 t70 -108.99 120.6 43.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 105' ' ' GLU . 5.1 tpm_? -162.09 155.76 21.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.77 HD22 HD13 ' A' ' 74' ' ' LEU . 3.1 pp -42.2 -23.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.571 ' HG2' HD11 ' A' ' 10' ' ' LEU . 42.5 mt-10 -46.33 -38.41 8.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -40.74 -24.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 105' ' ' GLU . 88.7 mt -84.38 27.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 105' ' ' GLU . 12.9 pt-20 -81.48 -35.11 30.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.6 m -120.98 -50.64 2.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -50.54 -38.93 47.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.403 ' CD ' ' HB3' ' A' ' 107' ' ' LEU . 7.3 tt0 -58.52 -45.95 87.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 54' ' ' LYS . 63.7 mt -48.23 -55.31 10.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -154.1 142.53 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -81.1 -79.11 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 109.36 2.3 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 14.4 m -39.44 146.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 t -57.64 132.88 54.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.45 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p 43.96 42.84 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.893 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -72.21 93.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.77 165.52 27.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 m -124.25 -45.28 1.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -103.41 89.14 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.8 88.07 0.72 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.9 m -94.12 -58.63 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 mtp85 50.43 25.81 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.612 HD13 ' HE1' ' A' ' 12' ' ' TRP . 6.6 mt -78.46 179.87 6.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 2.5 tp -107.15 -64.78 1.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.614 ' CZ3' HG21 ' A' ' 76' ' ' ILE . 3.8 p-90 -33.44 -41.11 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . 17.9 p-10 -73.64 -46.21 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' CE2' HD11 ' A' ' 18' ' ' LEU . 10.2 t80 -40.48 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 13' ' ' ASP . 89.0 t -55.27 -65.53 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 93' ' ' PRO . 10.6 m-85 -46.46 -51.98 14.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -39.47 -27.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.533 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.7 mt -87.97 -59.67 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.8 mm? -37.73 -51.3 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.8 t -38.14 -60.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.09 146.9 45.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.5 p -95.73 -21.97 17.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.4 mtt85 -74.94 -3.37 31.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.9 m-85 -109.71 -6.81 15.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -38.41 -52.44 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.65 ' O ' HG21 ' A' ' 41' ' ' VAL . 16.2 m-80 -48.25 -59.06 3.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -54.71 -44.91 73.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.782 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.8 tt -156.21 130.47 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -135.44 170.25 16.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.517 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 74.8 m95 -82.01 121.37 26.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -74.84 -57.5 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -134.88 86.14 2.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -48.36 -35.28 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -48.03 -42.3 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -116.62 27.6 9.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 47.4 mttt 42.52 49.05 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.684 ' CG2' HD11 ' A' ' 86' ' ' LEU . 69.7 mt -99.11 129.49 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.615 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 2.2 p90 -122.32 159.49 27.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HB2' HD22 ' A' ' 86' ' ' LEU . 15.2 ttm180 -145.07 120.13 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.53 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.1 mt -61.58 96.78 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.782 HG23 ' HA ' ' A' ' 28' ' ' ILE . 15.1 t -45.35 -51.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -143.16 114.28 5.79 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.828 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -39.07 6.91 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.388 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -57.38 -41.32 79.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.1 -28.68 27.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD13 ' C ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -73.41 -65.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' LEU . . . -37.7 -49.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.098 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -45.33 -42.6 10.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.4 mt -67.22 -32.73 73.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.951 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 6.0 t-105 -77.71 -33.82 52.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -80.78 -50.25 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -45.95 -66.1 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.458 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.6 p-80 -57.67 -14.35 5.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.418 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 2.8 mmmp? -96.48 17.85 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 t30 60.56 30.18 19.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -122.96 153.57 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -120.58 -38.77 2.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -93.17 39.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 57.4 tpp -82.63 113.55 20.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.3 p -106.46 169.48 8.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.33 -39.55 94.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -52.39 -50.61 62.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.5 mtmm -66.69 -10.56 47.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.2 ttp -93.07 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' HA ' HD23 ' A' ' 68' ' ' LEU . 6.5 t -39.59 -40.47 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 7.9 mmt-85 -37.16 -53.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.16 -69.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.597 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.8 mm? -33.79 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.496 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 23.6 ttp85 -59.45 -62.08 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -42.34 -39.64 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' HE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -68.75 -37.89 79.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -47.18 -45.17 22.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.981 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -70.77 -33.2 70.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.666 HD13 HD23 ' A' ' 104' ' ' LEU . 7.4 mt -72.4 2.34 6.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 61.98 46.68 6.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.614 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 52.1 mt -113.1 -42.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 76.9 mt -129.18 146.94 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -122.9 114.17 20.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -90.4 122.4 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -62.82 134.01 95.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.628 0.728 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.22 6.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -125.36 -79.99 0.38 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.437 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 82' ' ' GLY . 14.4 mm100 -33.77 129.69 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 110.912 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HG3' HD12 ' A' ' 85' ' ' LEU . 11.7 tpp180 -68.12 142.15 55.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.9 mp 35.08 47.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.741 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -99.81 134.66 42.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.639 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.3 m-85 -134.24 131.39 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -119.44 113.39 20.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.615 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.0 m-85 -74.4 84.68 1.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.457 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 29.4 mtm -52.07 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -91.85 155.67 18.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.7 m -63.57 133.56 95.56 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.555 0.693 . . . . 0.0 111.168 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.54 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 53.1 Cg_endo -69.81 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.66 -27.33 39.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.83 -36.63 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.4 mm -58.32 -45.8 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 31.5 mtt -52.14 101.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.0 t -113.38 -57.7 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.42 45.88 1.92 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -111.25 156.79 20.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.917 0.389 . . . . 0.0 110.837 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 102' ' ' ASP . 8.9 t -39.28 -44.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.495 ' N ' HG23 ' A' ' 101' ' ' THR . 5.7 t70 -116.45 89.74 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -136.87 164.29 28.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD23 HD13 ' A' ' 74' ' ' LEU . 2.5 tm? -33.75 -38.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 108' ' ' GLU . 2.0 tt0 -39.07 -49.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLU . 47.5 t-80 -34.79 -41.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.64 37.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 105' ' ' GLU . 26.3 tt0 -73.0 -57.66 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 p -127.24 44.47 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -85.57 -65.28 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.74 -45.34 89.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.7 mt -66.09 174.4 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -106.43 116.54 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 117.02 89.83 1.47 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.68 59.51 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -99.06 -47.53 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.0 t -69.41 105.22 2.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -136.17 122.16 20.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -108.59 122.11 46.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.85 169.07 24.3 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -129.8 42.3 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.812 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -110.21 92.96 4.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.42 38.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -85.94 42.5 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.831 0.348 . . . . 0.0 110.903 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -67.48 -49.88 61.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 71' ' ' TYR . 15.8 mt -44.69 169.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.048 HD23 ' HB3' ' A' ' 67' ' ' ALA . 3.1 tp -93.54 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.576 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 3.6 p-90 -32.58 -41.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 0.2 OUTLIER -71.13 -48.47 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.662 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -39.29 -25.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG12 HD23 ' A' ' 19' ' ' LEU . 49.1 t -55.89 -68.83 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.0 t80 -35.78 -58.39 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 18.8 mm-40 -35.07 -43.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 76.4 mt -71.93 -57.95 3.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.643 HD23 HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -43.0 -51.81 5.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -48.19 -42.15 29.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.74 115.98 26.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.9 p -64.4 -29.09 70.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.25 -18.67 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CD2' HD22 ' A' ' 18' ' ' LEU . 5.1 m-85 -108.62 34.79 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.16 -56.77 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' HG11 ' A' ' 41' ' ' VAL . 23.3 m-20 -43.18 -38.86 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.99 -36.21 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' HA ' HG23 ' A' ' 41' ' ' VAL . 15.8 tt -163.02 127.42 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -130.29 169.5 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.547 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.7 m95 -81.25 116.12 20.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.559 ' HB2' HG22 ' A' ' 37' ' ' ILE . 80.6 mm-40 -75.84 -54.54 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.477 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 7.6 t0 -131.95 88.36 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.83 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 15.5 mmtt -53.43 -33.18 53.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 35' ' ' SER . 6.7 pt-20 -58.98 -40.4 84.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 34' ' ' GLU . 75.2 m -116.92 33.53 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' SER . 32.5 mttm 36.32 50.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.559 HG22 ' HB2' ' A' ' 31' ' ' GLU . 46.7 mt -96.32 123.03 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.761 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.6 p90 -121.23 158.61 27.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.2 ttm180 -145.94 122.17 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 40' ' ' ILE . 50.1 mt -65.37 92.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.441 HG23 ' HA ' ' A' ' 28' ' ' ILE . 59.2 t -41.03 -44.04 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -148.02 115.3 4.01 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.579 0.704 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.07 22.93 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.684 2.256 . . . . 0.0 112.344 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -67.4 -36.48 81.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.43 -37.52 7.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.624 HD21 HD13 ' A' ' 18' ' ' LEU . 1.2 tm? -62.88 -55.6 24.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.787 0.327 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.41 -47.83 47.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 52' ' ' ASN . 18.8 mtp180 -39.55 -50.71 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -62.99 -43.32 99.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.576 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 9.5 t-105 -63.0 -61.57 2.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 52' ' ' ASN . . . -62.65 -46.3 94.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 7.6 t30 -34.19 -67.9 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.534 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.1 p-80 -62.73 -29.14 70.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.576 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 12.6 tptt -65.02 -5.13 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 59.64 44.4 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.605 ' C ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -99.31 -172.99 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 91.89 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 59' ' ' MET . 11.8 t30 74.49 51.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.524 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 10.7 tpp -36.32 136.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.483 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 1.6 t -120.68 132.31 55.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -49.3 -36.14 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -55.93 -42.5 76.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' HD3' ' CG2' ' A' ' 60' ' ' THR . 28.4 mtpt -82.05 -9.46 59.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 ttt -88.66 -59.27 2.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' ALA . 2.4 t -53.15 -34.79 58.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.5 mmt-85 -37.28 -32.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.048 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -75.11 -69.4 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.601 HD22 ' H ' ' A' ' 68' ' ' LEU . 1.9 mm? -34.25 -44.36 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -54.63 -60.37 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -44.11 -39.86 4.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 98.5 m-85 -66.38 -33.33 75.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 7.7 m-30 -51.46 -55.85 16.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -54.52 -32.02 57.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.84 3.79 6.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.9 m120 60.28 46.8 9.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG23 ' CD1' ' A' ' 96' ' ' ILE . 34.0 mt -114.08 -44.53 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.0 mt -123.83 147.13 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.7 ttt85 -123.86 116.94 23.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -84.05 118.97 24.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.28 133.6 74.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.675 0.75 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.94 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -39.93 -36.26 0.78 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -108.13 -178.23 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.947 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -104.18 -74.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.1 mp -89.7 53.87 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -107.36 131.27 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.62 ' N ' HD13 ' A' ' 86' ' ' LEU . 11.2 m-85 -129.39 130.71 46.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -112.95 113.37 25.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.836 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 7.4 m-85 -73.73 80.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 89' ' ' PHE . 14.7 mtt -34.08 -71.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CG ' HD11 ' A' ' 96' ' ' ILE . 1.7 ptmm? -104.33 -179.93 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 95' ' ' GLU . 23.9 m -71.08 128.87 90.03 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.572 0.701 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.343 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -15.73 62.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.5 tp10 -85.47 -51.7 6.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.683 ' CD1' HG23 ' A' ' 76' ' ' ILE . 66.4 mt -51.92 -36.53 19.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.452 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.6 mmt -34.5 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 96' ' ' ILE . 83.7 p -164.0 136.68 5.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.02 66.37 0.45 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -108.35 -39.91 5.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.7 m -122.13 -61.96 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.05 -29.29 43.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 45.46 49.8 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HD23 ' A' ' 104' ' ' LEU . 4.4 tt -52.54 -33.1 43.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 108' ' ' GLU . 3.5 mm-40 -45.19 -43.0 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -40.33 -33.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 31.1 mt -84.69 32.3 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 pt-20 -88.95 -39.52 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -130.79 39.54 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -104.54 -49.69 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.52 -41.94 59.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -48.86 -32.57 9.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.9 t 65.61 43.19 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.02 72.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 103.36 1.16 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 0.0 112.296 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -157.27 138.62 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 81.9 p -87.85 134.17 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -125.3 114.6 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -133.49 166.01 23.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.42 95.9 2.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -81.81 15.79 2.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -147.16 142.54 27.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.42 -93.87 2.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 99.1 m -144.19 132.95 22.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -114.42 44.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD13 ' HE1' ' A' ' 12' ' ' TRP . 13.5 mt -147.11 170.72 16.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.978 HD23 ' HB3' ' A' ' 67' ' ' ALA . 10.0 tp -98.07 -61.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 p-90 -36.8 -38.11 0.16 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.97 -40.87 45.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -45.33 -26.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.605 HG12 HD23 ' A' ' 19' ' ' LEU . 66.7 t -59.15 -65.65 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -41.89 -58.96 1.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' TYR . 35.5 mt-30 -36.14 -35.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.65 ' CD1' HD21 ' A' ' 46' ' ' LEU . 69.2 mt -80.22 -62.95 1.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 15' ' ' VAL . 2.1 mm? -39.2 -49.23 1.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.0 t -47.36 -42.15 21.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -93.62 120.94 34.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -67.21 -30.68 70.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -52.71 -17.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' CD2' HD22 ' A' ' 18' ' ' LEU . 8.8 m-85 -110.22 32.37 5.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -76.37 -50.02 15.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.416 ' O ' HG11 ' A' ' 41' ' ' VAL . 4.9 m120 -44.32 -34.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -86.13 -46.35 10.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.641 HD11 ' HD2' ' A' ' 38' ' ' PHE . 10.1 tt -151.32 126.42 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -125.99 173.1 9.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 20.1 m95 -87.24 115.37 24.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.49 ' HB2' HG22 ' A' ' 37' ' ' ILE . 23.9 mm-40 -74.09 -55.49 6.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -134.89 84.07 2.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD3' ' CD1' ' A' ' 30' ' ' TRP . 2.8 mmmm -48.07 -30.85 4.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -60.1 -42.74 95.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.0 m -113.55 29.3 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.1 mttt 40.71 48.39 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.612 ' CG2' HD11 ' A' ' 86' ' ' LEU . 74.4 mt -97.56 122.8 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.701 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 6.2 p90 -124.85 157.93 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.675 ' HB2' HD22 ' A' ' 86' ' ' LEU . 22.9 ttt180 -142.4 125.12 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.529 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.9 mt -65.7 95.11 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 26' ' ' ASN . 99.6 t -42.6 -43.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -148.67 115.94 3.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 110.824 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -36.33 11.07 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.712 2.274 . . . . 0.0 112.355 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -62.01 -36.65 82.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -84.43 -36.31 12.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.65 HD21 ' CD1' ' A' ' 18' ' ' LEU . 1.9 tm? -67.27 -57.06 7.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.79 -49.84 19.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -44.41 -52.32 7.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.16 -35.81 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 26.6 t-105 -68.86 -50.93 45.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -73.2 -13.51 79.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -66.98 -62.61 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.3 p-80 -68.71 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.552 ' CE ' HD11 ' A' ' 112' ' ' LEU . 10.8 tptt -57.89 -14.11 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 72.67 38.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 57' ' ' THR . 0.0 OUTLIER -113.2 112.1 23.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.404 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 85.4 m -73.95 132.07 42.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 62.48 51.61 3.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.477 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 37.9 tpp -75.65 123.14 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.434 ' H ' ' CD ' ' A' ' 63' ' ' LYS . 1.3 p -98.22 154.41 17.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.91 -33.6 64.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -61.27 -40.64 94.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' CD ' ' H ' ' A' ' 60' ' ' THR . 5.8 ptmt -77.47 -12.43 59.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.575 ' HG2' HD22 ' A' ' 11' ' ' LEU . 18.6 ttp -87.5 -58.06 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.425 ' HA ' HD23 ' A' ' 68' ' ' LEU . 78.8 p -40.11 -27.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' MET . 9.9 mmt180 -39.28 -54.28 1.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.978 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -51.01 -68.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.28 -38.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -61.86 -57.29 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.435 ' CD2' ' OE2' ' A' ' 111' ' ' GLU . 30.0 m-70 -45.74 -38.75 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.69 ' CD1' HD22 ' A' ' 104' ' ' LEU . 88.7 m-85 -69.86 -38.88 76.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.4 m-30 -45.84 -46.61 15.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HE2' ' NE ' ' A' ' 69' ' ' ARG . 2.1 mptp? -64.18 -26.82 68.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 HD12 ' HA ' ' A' ' 71' ' ' TYR . 8.4 mt -79.74 9.01 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.3 m120 55.62 38.87 30.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.2 mt -106.86 -47.38 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 12' ' ' TRP . 17.5 mt -127.42 153.44 36.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.05 144.97 51.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -115.28 100.28 8.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -45.88 139.79 5.06 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -51.23 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.701 2.268 . . . . 0.0 112.325 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.66 -71.55 0.95 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' N ' ' OE1' ' A' ' 83' ' ' GLN . 8.1 mp0 -54.36 118.12 3.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.541 ' HG3' HD12 ' A' ' 85' ' ' LEU . 4.5 tpt85 -69.45 157.91 36.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.541 HD12 ' HG3' ' A' ' 84' ' ' ARG . 5.7 mp 33.77 42.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.675 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -108.88 129.54 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.6 m-85 -135.33 139.48 44.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 88' ' ' ARG . 10.8 ptt180 -118.84 118.68 32.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.701 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 9.5 m-85 -71.96 71.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 89' ' ' PHE . 45.3 mtp -34.34 -75.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -101.8 161.41 13.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.594 ' O ' HD12 ' A' ' 96' ' ' ILE . 15.0 t -68.89 140.96 91.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -31.64 19.89 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.671 2.247 . . . . 0.0 112.326 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.455 ' HA ' ' CE ' ' A' ' 97' ' ' MET . 5.0 t0 -61.89 -25.96 67.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' THR . 31.5 mm-40 -72.2 -66.76 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 96' ' ' ILE . 4.8 mp -42.52 -45.68 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.455 ' CE ' ' HA ' ' A' ' 94' ' ' ASP . 10.1 mtm -34.92 -39.87 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.6 t -79.69 112.04 16.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -153.12 -116.87 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.445 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 102' ' ' ASP . 39.0 mtt85 -128.44 78.48 1.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 100' ' ' ARG . 13.5 t 35.98 32.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 100' ' ' ARG . 23.5 t0 -173.94 116.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.588 ' O ' HD12 ' A' ' 104' ' ' LEU . 13.8 mmt180 -146.97 111.04 5.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD22 ' CD1' ' A' ' 71' ' ' TYR . 0.4 OUTLIER 34.47 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -92.04 -44.96 8.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -55.84 -13.58 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 107' ' ' LEU . 7.6 mp -95.91 16.76 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -70.32 -42.22 72.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.5 t -133.15 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -108.27 -44.3 4.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.435 ' OE2' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm-40 -83.27 -37.05 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.552 HD11 ' CE ' ' A' ' 54' ' ' LYS . 47.8 mt -42.86 -52.55 5.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.9 t -166.35 132.78 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.75 138.02 14.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.96 7.43 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.1 p -130.62 -45.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.1 m -62.31 87.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -116.72 93.78 4.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -61.29 89.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.85 176.48 46.71 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -109.5 -51.66 2.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -115.22 40.9 2.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.64 -114.81 4.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.9 p -160.52 167.81 26.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -132.29 133.5 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.8 HD23 ' HB3' ' A' ' 108' ' ' GLU . 8.4 mt -73.66 157.1 37.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.128 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.8 tp -59.82 -67.95 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.6 p-90 -33.66 -42.13 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -63.3 -53.97 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.839 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.609 ' CE2' HD11 ' A' ' 18' ' ' LEU . 7.2 t80 -38.7 -27.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG11 ' CE2' ' A' ' 38' ' ' PHE . 59.5 t -54.39 -56.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.191 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.2 t80 -47.97 -56.88 6.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' TYR . 91.4 mm-40 -36.51 -41.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.1 mt -71.13 -53.7 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' HG ' ' CZ2' ' A' ' 30' ' ' TRP . 3.9 mm? -46.54 -56.23 6.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -40.73 -46.61 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -85.74 117.94 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 25' ' ' GLU . 38.9 p -66.25 -37.67 86.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 42.6 mtp85 -43.13 -24.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' N ' ' CD1' ' A' ' 24' ' ' TYR . 3.4 m-85 -101.74 33.06 3.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 22' ' ' SER . 12.0 mt-10 -74.06 -51.61 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 1.0 OUTLIER -48.07 -37.49 15.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -82.57 -38.94 22.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 HD21 ' A' ' 19' ' ' LEU . 12.5 tt -159.52 131.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -133.11 172.09 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.559 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 32.5 m95 -84.61 115.81 22.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.423 ' C ' ' OD1' ' A' ' 32' ' ' ASP . 9.5 mm-40 -72.58 -59.46 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' HB2' HD12 ' A' ' 37' ' ' ILE . 1.2 m-20 -132.58 87.87 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 26.3 mmtt -49.1 -37.72 22.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 35' ' ' SER . 3.9 pm0 -55.17 -32.85 62.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.46 ' N ' ' HG2' ' A' ' 34' ' ' GLU . 50.8 m -120.44 23.07 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 41.37 46.11 2.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.674 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.4 mt -96.79 125.82 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.573 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 23.9 p90 -119.24 163.49 17.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.59 ' HB2' HD22 ' A' ' 86' ' ' LEU . 33.1 ttt180 -147.52 121.73 9.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 40' ' ' ILE . 56.4 mt -65.45 97.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -51.06 -43.2 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -139.91 108.34 7.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.575 0.702 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HB3' HD21 ' A' ' 85' ' ' LEU . 53.7 Cg_endo -69.75 -32.17 19.14 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.715 2.277 . . . . 0.0 112.317 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -70.92 -33.2 70.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.44 -36.65 7.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.639 HD13 ' C ' ' A' ' 46' ' ' LEU . 1.4 tm? -61.36 -61.32 2.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.363 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.22 -46.88 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -39.54 -66.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.7 mt -47.73 -45.89 29.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.574 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.7 t-105 -60.33 -38.82 84.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.01 -17.3 63.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.47 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -67.68 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 2.1 p-80 -62.95 -43.1 99.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 10.6 tptt -58.84 -10.75 2.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 62.11 47.0 5.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HG2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -105.08 176.61 5.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.7 m -123.18 124.11 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 59.4 47.55 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 58.0 tpp -61.9 111.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 p -98.05 173.58 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -79.46 -40.4 29.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -55.11 -39.79 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -73.52 -21.03 60.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ARG . 24.7 ttp -87.34 -65.73 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.619 ' HA ' HD23 ' A' ' 68' ' ' LEU . 33.6 p -39.74 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 64' ' ' MET . 13.5 mmt85 -43.71 -51.18 7.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.128 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -58.19 -65.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 65' ' ' SER . 1.7 mm? -35.33 -47.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 14.4 tpt180 -56.45 -66.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -41.52 -33.23 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.746 ' CD1' HD11 ' A' ' 104' ' ' LEU . 22.7 m-85 -75.79 -35.27 60.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -44.51 -53.72 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -58.76 -27.81 65.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.62 HD13 ' CD1' ' A' ' 104' ' ' LEU . 6.0 mt -80.9 12.26 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.1 m120 56.79 42.64 26.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG22 HG13 ' A' ' 77' ' ' ILE . 24.1 mt -106.24 -39.41 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.492 HG13 HG22 ' A' ' 76' ' ' ILE . 33.6 mt -141.83 144.59 25.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -119.74 116.85 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -85.21 92.42 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -46.23 137.14 6.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.78 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -44.26 -58.52 4.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 86' ' ' LEU . 1.8 mp0 -80.1 179.19 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -104.33 -71.5 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 43' ' ' PRO . 6.1 mp -93.26 49.67 1.43 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.674 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.1 OUTLIER -103.06 135.14 45.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.609 ' N ' HD13 ' A' ' 86' ' ' LEU . 23.6 m-85 -139.02 136.67 35.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.487 ' CD ' ' HG2' ' A' ' 90' ' ' MET . 0.0 OUTLIER -119.65 113.83 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.5 m-85 -70.51 85.92 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.487 ' HG2' ' CD ' ' A' ' 88' ' ' ARG . 25.7 mtm -65.44 -75.53 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -64.58 153.69 38.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 93.5 m -68.16 129.28 93.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -32.42 18.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.302 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -70.78 -19.28 62.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.76 -35.85 75.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 97' ' ' MET . 3.8 mp -72.86 -42.03 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.456 ' C ' ' O ' ' A' ' 96' ' ' ILE . 7.1 mmt -34.14 -39.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 38.8 m -118.68 134.43 55.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -172.23 -171.09 36.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 101' ' ' THR . 51.6 mtt85 -109.13 178.0 4.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 100' ' ' ARG . 70.3 m -38.23 -66.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.085 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.3 81.01 0.36 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 105' ' ' GLU . 17.4 mmt180 -151.01 -175.05 4.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.746 HD11 ' CD1' ' A' ' 71' ' ' TYR . 9.6 tp -62.03 80.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ARG . 23.1 mm-40 -143.69 -175.01 4.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 47.25 24.99 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' OE2' ' A' ' 111' ' ' GLU . 28.0 mt -129.32 -32.09 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.8 ' HB3' HD23 ' A' ' 10' ' ' LEU . 2.0 pp20? -43.26 -37.87 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 112' ' ' LEU . 96.4 p -103.21 -46.74 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 109' ' ' SER . 45.7 tt0 -34.24 -35.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 109' ' ' SER . 5.6 mp0 -84.36 36.49 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 109' ' ' SER . 23.9 mt -154.38 162.27 41.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 t -77.08 83.65 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.22 149.79 19.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 88.73 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 84.8 p -108.72 113.17 25.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -163.28 167.89 21.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.449 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -98.42 80.78 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -79.85 79.98 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.73 81.17 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -56.15 94.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.883 0.373 . . . . 0.0 110.84 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -94.89 112.37 24.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.89 85.33 0.37 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.5 t -130.56 136.69 49.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -138.32 151.18 47.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 104' ' ' LEU . 7.8 mp -54.61 -174.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.086 HD23 ' HB3' ' A' ' 67' ' ' ALA . 11.0 tp -100.22 -65.99 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.822 ' CH2' HD11 ' A' ' 96' ' ' ILE . 2.0 p-90 -34.85 -38.81 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 15' ' ' VAL . 18.1 t70 -76.83 -44.03 34.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.975 ' CE2' HD11 ' A' ' 18' ' ' LEU . 53.0 t80 -40.67 -24.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.652 HG12 HD23 ' A' ' 19' ' ' LEU . 85.9 t -59.01 -69.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' VAL . 3.3 t80 -36.48 -62.07 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.969 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' TYR . 14.2 mm100 -36.0 -43.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.975 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.1 mt -69.25 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.652 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -38.37 -54.89 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -45.04 -50.69 10.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.17 116.99 19.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.5 m -64.3 -35.48 80.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -47.57 -23.96 0.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -103.71 33.7 3.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.949 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -78.52 -54.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -45.3 -33.95 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -84.74 -38.89 19.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.616 HD11 ' HD2' ' A' ' 38' ' ' PHE . 19.7 tt -159.73 130.81 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -134.04 172.27 13.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 57.7 m95 -82.58 120.9 26.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -78.8 -57.86 3.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -134.4 83.23 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.9 OUTLIER -44.67 -33.82 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -48.28 -46.27 35.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.5 m -114.54 30.35 7.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.1 mttp 40.68 47.71 2.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.634 ' CG2' HD11 ' A' ' 86' ' ' LEU . 92.0 mt -95.63 131.22 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 28' ' ' ILE . 3.9 p90 -126.38 165.45 19.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.823 ' HB2' HD22 ' A' ' 86' ' ' LEU . 23.9 ttt180 -151.01 127.81 10.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.838 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 46' ' ' LEU . 56.7 mt -66.65 99.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 28' ' ' ILE . 43.4 t -53.34 -40.52 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 28.4 t0 -151.77 105.37 2.86 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.7 Cg_endo -69.81 -44.18 2.2 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.297 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -54.87 -28.43 50.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.03 -39.69 4.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 49' ' ' LEU . 7.9 tp -67.01 -51.86 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -41.77 -45.45 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 -49.44 -38.8 30.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -66.41 -47.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.568 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 9.3 t-105 -63.07 -47.62 82.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -69.74 -38.94 77.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -44.45 -67.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 2.8 p-80 -63.53 -14.67 53.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 0.4 OUTLIER -97.18 17.27 17.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 46.86 44.43 14.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 56' ' ' ARG . 1.9 mmp_? -127.72 78.77 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -51.9 -40.32 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -94.95 38.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.467 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 43.9 tpp -72.36 104.88 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.4 p -97.95 146.1 25.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.9 t80 -53.47 -39.99 64.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -51.81 -37.71 52.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -86.84 -11.75 49.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.9 ttp -88.11 -65.52 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 78.0 p -49.49 -24.68 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.57 -29.29 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.086 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -77.31 -65.26 0.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.22 -36.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 8.9 mmt180 -56.69 -68.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CB ' HD11 ' A' ' 107' ' ' LEU . 9.8 m-70 -35.74 -50.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.684 ' OH ' HD23 ' A' ' 10' ' ' LEU . 89.5 m-85 -53.06 -43.72 66.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 10.8 m-30 -44.59 -48.04 10.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -60.06 -35.57 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.04 3.01 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.9 m120 62.39 44.34 7.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.527 HG22 HG13 ' A' ' 77' ' ' ILE . 84.2 mt -108.84 -47.63 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.529 HD11 ' HE3' ' A' ' 12' ' ' TRP . 31.3 mt -124.87 147.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -121.0 108.78 14.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -85.82 117.88 24.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.85 138.21 95.14 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.618 0.723 . . . . 0.0 110.966 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.09 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -66.49 -80.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.48 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 82' ' ' GLY . 13.9 mm100 -36.21 130.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.542 ' HG2' HD12 ' A' ' 85' ' ' LEU . 25.9 ttm180 -74.62 142.56 44.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.542 HD12 ' HG2' ' A' ' 84' ' ' ARG . 4.0 mp 34.93 47.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.823 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -102.83 135.62 44.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.637 ' N ' HD13 ' A' ' 86' ' ' LEU . 34.0 m-85 -132.38 134.09 44.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -120.82 117.84 28.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.887 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 8.2 m-85 -84.48 83.17 8.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 28.8 mtp -45.21 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -103.9 162.53 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 94' ' ' ASP . 87.1 m -63.99 128.3 92.82 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.618 0.723 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.4 Cg_endo -69.78 -29.13 24.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 92' ' ' THR . 4.5 m-20 -75.82 -18.32 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 2.9 tp10 -92.94 -42.32 9.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.822 HD11 ' CH2' ' A' ' 12' ' ' TRP . 2.8 pp -61.61 -17.06 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.568 ' N ' HD12 ' A' ' 96' ' ' ILE . 14.1 ptp -87.51 79.37 8.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 m -113.76 130.25 56.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.18 -100.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -128.11 -71.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.455 ' O ' ' C ' ' A' ' 102' ' ' ASP . 26.8 m -158.62 139.54 12.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 101' ' ' THR . 16.7 t0 34.12 51.37 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -62.91 -175.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.844 ' O ' HD21 ' A' ' 10' ' ' LEU . 1.3 tt 51.27 49.46 21.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 108' ' ' GLU . 15.1 mt-10 -82.88 -43.92 16.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 105' ' ' GLU . 14.3 t-80 -33.27 -47.92 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 70' ' ' HIS . 4.3 mm? -59.98 -46.58 88.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 105' ' ' GLU . 3.4 tm-20 -34.97 -40.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 t -134.02 56.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 37.1 tp60 -117.81 -44.35 2.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.57 42.28 1.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.427 HD11 ' NZ ' ' A' ' 54' ' ' LYS . 72.6 mt -125.44 159.43 31.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.9 t -69.58 156.11 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.17 83.49 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 162.6 41.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.677 2.251 . . . . 0.0 112.365 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 96.4 p -122.9 -9.51 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.2 m -168.83 173.04 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.537 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -76.72 171.75 14.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.851 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -169.71 177.82 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.47 -124.15 3.33 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 71.41 44.87 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 0.0 110.839 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -120.01 43.34 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.76 49.83 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.1 m -131.0 113.98 14.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 52.6 mtt180 -150.43 115.32 5.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.657 HD12 ' OH ' ' A' ' 71' ' ' TYR . 3.7 mm? -66.48 151.9 46.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.972 HD23 ' HB3' ' A' ' 67' ' ' ALA . 7.7 tp -63.57 -71.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' TYR . 20.5 p-90 -33.64 -40.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' VAL . 5.1 t70 -76.34 -44.99 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.0 t80 -41.18 -25.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG11 ' CD2' ' A' ' 38' ' ' PHE . 87.8 t -56.8 -65.89 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' GLN . 23.5 t80 -36.5 -61.34 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' TYR . 16.2 mp0 -35.23 -41.34 0.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.932 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 14' ' ' TYR . 69.1 mt -70.21 -56.87 5.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.51 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -43.27 -52.53 5.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 t -44.58 -41.53 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.31 116.19 28.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 25' ' ' GLU . 92.5 p -64.36 -37.74 88.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -46.75 -21.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.468 ' CD1' ' N ' ' A' ' 24' ' ' TYR . 1.3 m-85 -106.51 34.31 3.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' SER . 39.5 mt-10 -77.04 -55.45 5.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -42.49 -34.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' HB3' HD23 ' A' ' 46' ' ' LEU . 90.0 m-85 -82.68 -41.42 19.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.9 tt -159.1 133.46 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -133.0 172.85 12.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 19' ' ' LEU . 36.9 m95 -83.15 119.38 24.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -81.76 -49.71 10.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . 1.9 t70 -134.79 85.36 2.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -51.77 -31.96 28.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -63.0 -41.84 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -110.41 25.29 11.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 41.29 47.29 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.683 ' CG2' HD11 ' A' ' 86' ' ' LEU . 89.5 mt -97.75 124.68 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CD2' HG11 ' A' ' 15' ' ' VAL . 1.3 p90 -115.44 174.87 5.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.584 ' HB2' HD22 ' A' ' 86' ' ' LEU . 9.6 ttp180 -158.71 129.45 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.484 HG22 ' O ' ' A' ' 40' ' ' ILE . 52.2 mt -75.08 96.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' NH2' ' A' ' 39' ' ' ARG . 72.1 t -50.9 -45.95 29.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -139.46 105.32 7.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.29 18.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -62.51 -41.18 98.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -87.81 -31.24 15.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.596 ' O ' HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -67.41 -52.18 42.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -47.96 -48.55 32.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -41.86 -54.07 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.6 mt -52.34 -47.04 66.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 23.3 t-105 -61.86 -41.97 98.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.21 -61.11 7.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -47.01 -42.1 17.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -50.42 -55.92 13.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -84.34 29.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 45.34 39.0 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 6.3 mmm180 -95.97 160.9 14.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.7 m -125.17 145.09 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 32.3 m-20 49.43 43.16 23.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 tpp -67.49 128.22 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.9 t -109.03 144.01 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -53.69 -36.94 62.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.91 -50.74 56.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -73.05 -8.71 56.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.5 ttp -88.05 -54.23 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.475 ' HA ' HD23 ' A' ' 68' ' ' LEU . 8.7 t -54.85 -32.87 61.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -38.6 -37.62 0.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.972 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -70.04 -66.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.615 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.7 mm? -34.31 -41.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 5.4 mmm180 -58.76 -68.8 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -38.28 -41.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 12' ' ' TRP . 47.6 m-85 -66.26 -41.05 90.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 16.0 m-30 -43.49 -39.54 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.47 -35.06 79.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 104' ' ' LEU . 6.6 mt -73.7 -0.77 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 65.91 43.21 3.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.596 HG21 ' CZ3' ' A' ' 12' ' ' TRP . 58.8 mt -104.66 -47.68 9.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.495 HD11 ' HB2' ' A' ' 12' ' ' TRP . 73.7 mt -125.39 148.19 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -120.79 112.92 19.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.501 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 22.9 tttm -86.88 100.71 12.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -52.79 137.9 43.93 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.69 0.757 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.1 25.9 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 83' ' ' GLN . . . -88.23 -89.06 1.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.514 ' HB3' HD23 ' A' ' 86' ' ' LEU . 2.6 mp0 -33.93 125.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 85' ' ' LEU . 6.4 ptm85 -66.98 147.11 53.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 84' ' ' ARG . 4.1 mp 35.56 43.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.683 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -99.05 130.76 45.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.564 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.8 m-85 -129.21 140.88 51.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -127.17 114.59 17.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.461 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 18.1 m-85 -64.52 85.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 73.4 mtp -42.87 -72.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -108.43 155.8 20.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 95' ' ' GLU . 16.6 m -61.27 129.36 90.75 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.583 0.706 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.574 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 53.5 Cg_endo -69.76 -33.87 15.72 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -20.89 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' H ' HG22 ' A' ' 92' ' ' THR . 45.1 mm-40 -86.15 -42.72 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 96' ' ' ILE . 2.8 pp -71.22 -13.75 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.491 ' N ' HD12 ' A' ' 96' ' ' ILE . 4.1 mtt -75.78 50.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.3 m -107.96 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.72 46.38 6.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -75.38 -57.63 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.0 t -98.52 -23.97 15.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -172.04 124.72 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -73.47 155.93 38.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.601 ' CD1' HD13 ' A' ' 74' ' ' LEU . 12.9 tp -106.83 45.77 0.96 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -105.51 -36.16 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -51.82 -28.93 17.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -85.7 33.56 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.534 ' HA ' HD13 ' A' ' 10' ' ' LEU . 22.1 tt0 -93.83 -61.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.677 ' HA ' HD12 ' A' ' 112' ' ' LEU . 8.2 t -115.33 34.33 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -86.53 -62.65 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -80.48 45.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 109' ' ' SER . 48.5 mt -138.84 130.44 27.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -75.51 116.53 16.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.81 81.21 1.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 85.71 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.636 2.224 . . . . 0.0 112.363 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.6 p -47.27 -51.01 20.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.1 t -58.29 120.46 8.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -135.03 171.97 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -72.39 175.19 6.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.18 128.57 10.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t -120.09 -45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.4 p -154.94 175.4 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.71 -95.61 1.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.9 p -89.21 146.79 24.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -131.53 140.31 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.928 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 104' ' ' LEU . 9.0 mt -63.52 -179.2 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.119 HD23 ' HB3' ' A' ' 67' ' ' ALA . 33.2 tp -102.48 -69.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.457 ' C ' ' O ' ' A' ' 11' ' ' LEU . 7.3 p-90 -33.45 -35.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.3 t70 -74.83 -48.84 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 11' ' ' LEU . 41.9 t80 -39.26 -30.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.75 HG12 HD23 ' A' ' 19' ' ' LEU . 53.4 t -55.41 -61.18 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.2 t80 -42.88 -59.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' TYR . 64.9 mt-30 -36.99 -37.33 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 46' ' ' LEU . 21.0 mt -77.84 -54.78 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.75 HD23 HG12 ' A' ' 15' ' ' VAL . 1.6 mm? -49.35 -56.66 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' LEU . 22.8 t -34.62 -46.85 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.73 133.27 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.8 m -92.09 34.1 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -95.5 -36.41 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' PHE . 18.8 m-85 -91.6 14.91 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 24' ' ' TYR . 1.7 tt0 -33.36 -61.91 0.3 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -45.12 -41.12 7.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' TYR . 30.4 m-85 -73.03 -47.51 44.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.7 tt -157.84 141.47 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -144.74 172.92 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.439 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 50.8 m95 -84.49 117.33 23.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 58.9 mm-40 -73.45 -59.26 2.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.84 85.88 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.3 mmtp -47.61 -30.39 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -48.12 -48.7 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 m -114.92 28.89 8.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? 44.79 49.05 9.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 87' ' ' PHE . 82.7 mt -95.92 125.4 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 8.8 p90 -119.85 160.43 22.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB2' HD22 ' A' ' 86' ' ' LEU . 37.5 ttt-85 -147.46 119.64 8.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 40' ' ' ILE . 33.8 mt -65.41 93.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -40.94 -52.04 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -140.1 113.99 7.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -33.18 17.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.356 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -64.86 -45.24 86.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.69 -19.81 65.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.531 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.582 HD13 ' C ' ' A' ' 46' ' ' LEU . 2.8 tm? -83.61 -57.7 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.815 0.34 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -43.02 -46.0 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 52' ' ' ASN . 29.6 mtt180 -44.22 -58.06 3.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.99 -35.43 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 4.7 t-105 -71.85 -32.81 67.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.494 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -94.54 -13.78 52.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 22.2 t30 -76.31 -60.48 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.549 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -69.42 -13.58 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' HG2' ' CD2' ' A' ' 53' ' ' HIS . 16.4 mmmt -87.27 5.71 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 60.22 31.91 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.32 156.41 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 50.0 m -113.13 136.58 52.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 48.62 48.31 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.494 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 16.2 tpp -63.16 118.99 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -106.25 141.48 37.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 52.3 t80 -60.72 -21.24 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.64 -38.97 75.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.7 mttm -93.62 -12.31 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 66' ' ' ARG . 1.7 tmt? -76.61 -66.47 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 61' ' ' TYR . 26.1 t -38.93 -26.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' MET . 32.6 mtt-85 -35.08 -58.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.119 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -53.95 -69.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.616 HD12 HD13 ' A' ' 77' ' ' ILE . 1.3 mm? -33.45 -44.89 0.15 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.519 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.8 tpt180 -59.32 -64.48 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -42.33 -33.69 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.804 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 89.1 m-85 -75.33 -34.1 61.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -47.61 -40.15 18.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -40.85 75.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 104' ' ' LEU . 5.2 mt -65.6 -5.27 7.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 69.83 44.32 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' C ' HG13 ' A' ' 77' ' ' ILE . 55.0 mt -112.03 -28.78 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.616 HD13 HD12 ' A' ' 68' ' ' LEU . 26.8 mt -142.63 144.54 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -126.65 118.61 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -88.89 99.39 12.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.67 132.29 55.71 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.643 0.735 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.34 69.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.21 -55.52 2.76 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.654 ' HG2' HD23 ' A' ' 86' ' ' LEU . 15.2 tp60 -50.36 160.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.771 0.319 . . . . 0.0 110.905 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -96.77 124.38 40.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 85' ' ' LEU . 2.6 mm? 37.79 47.84 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.654 HD23 ' HG2' ' A' ' 83' ' ' GLN . 0.1 OUTLIER -96.89 120.71 37.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.517 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.5 m-85 -123.0 150.16 43.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -130.06 114.91 16.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.793 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 9.9 m-85 -76.9 74.21 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.6 mtm -51.56 -71.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tptt -67.19 160.58 26.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 95' ' ' GLU . 12.8 t -82.88 141.0 43.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.556 0.693 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -28.23 25.54 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.18 -16.91 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 5.2 tp10 -70.68 -33.69 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.448 HG12 HD13 ' A' ' 104' ' ' LEU . 4.5 mp -88.96 -45.6 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 96' ' ' ILE . 49.8 mtt -37.04 -37.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.1 t -120.84 102.86 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA3' ' NE ' ' A' ' 103' ' ' ARG . . . -143.46 -150.37 5.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mtt85 -113.74 -175.02 2.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 110.833 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.6 t -56.14 -19.75 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -102.47 69.36 1.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' NE ' ' HA3' ' A' ' 99' ' ' GLY . 17.7 mmt-85 -119.8 -174.86 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 74' ' ' LEU . 3.3 mp -84.16 88.25 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 108' ' ' GLU . 1.5 pt-20 -131.98 -55.95 0.99 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.416 ' O ' ' OE1' ' A' ' 108' ' ' GLU . 2.2 m-70 -42.91 -23.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 105' ' ' GLU . 11.0 mp -87.51 22.85 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 105' ' ' GLU . 0.1 OUTLIER -82.59 -37.65 24.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.437 ' N ' ' HG2' ' A' ' 108' ' ' GLU . 41.6 t -116.17 -32.01 5.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -42.13 -26.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.834 ' HG2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -75.29 -47.96 25.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.887 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -81.6 -66.89 0.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -65.64 87.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -137.06 -155.01 6.84 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 156.0 64.38 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 117' ' ' SER . 17.7 m -89.94 129.53 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' SER . 58.5 p 37.62 44.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.481 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 47.1 42.11 12.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.377 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m -60.21 -60.01 4.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.22 57.01 0.77 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t -83.92 98.7 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -88.12 86.96 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 -52.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.6 p -57.1 129.58 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -155.91 -177.42 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD22 ' H ' ' A' ' 10' ' ' LEU . 3.4 mm? -43.78 127.61 5.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.066 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.5 tp -43.07 -66.01 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.7 p-90 -33.05 -41.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.527 ' N ' ' CD2' ' A' ' 12' ' ' TRP . 4.8 t0 -73.86 -46.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 11' ' ' LEU . 34.1 t80 -37.12 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.696 HG11 ' CE2' ' A' ' 38' ' ' PHE . 64.1 t -54.77 -66.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' VAL . 11.0 t80 -34.77 -61.72 0.39 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 16' ' ' TYR . 44.6 mm-40 -35.64 -43.98 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 ' CD1' HD11 ' A' ' 46' ' ' LEU . 84.7 mt -67.86 -53.16 28.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 ' CD2' HG12 ' A' ' 15' ' ' VAL . 1.8 mm? -48.58 -51.37 28.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' LEU . 4.4 m -36.5 -66.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.06 137.56 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.425 ' HA ' ' CD ' ' A' ' 25' ' ' GLU . 0.7 OUTLIER -85.68 31.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -95.63 -36.14 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.52 ' CG ' HD22 ' A' ' 18' ' ' LEU . 6.4 m-85 -97.98 24.51 6.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.516 ' OE1' ' N ' ' A' ' 25' ' ' GLU . 0.0 OUTLIER -63.12 -52.26 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -47.96 -24.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' VAL . 32.6 m-85 -98.37 -40.02 8.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 28' ' ' ILE . 13.0 tt -155.4 119.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -127.58 158.88 36.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.478 ' NE1' ' HB3' ' A' ' 19' ' ' LEU . 22.6 m95 -63.3 128.34 35.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.4 tm-20 -88.77 -57.01 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -134.97 80.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -45.56 -34.33 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -59.59 -37.7 79.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.1 m -114.39 19.77 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 48.93 40.32 16.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.647 ' CG2' HD11 ' A' ' 86' ' ' LEU . 52.6 mt -95.78 137.85 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.774 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 17.5 p90 -138.75 171.77 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.735 ' HB2' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -151.6 144.79 24.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 40' ' ' ILE . 40.0 mt -83.98 96.71 4.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.542 HG22 ' NH1' ' A' ' 39' ' ' ARG . 21.9 t -49.03 -42.13 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -146.41 105.03 4.04 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.584 0.707 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -36.15 11.28 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -69.96 -32.39 70.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -90.86 -20.3 40.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.717 HD11 ' CD1' ' A' ' 18' ' ' LEU . 8.5 tp -91.96 -35.72 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.59 -43.76 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.9 ptt85 -51.78 -50.51 60.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 46' ' ' LEU . 4.1 mt -52.82 -42.02 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 10.8 t-105 -68.79 -44.75 72.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -74.62 -19.53 79.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.535 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -61.7 -67.06 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -62.14 -34.12 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HE2' ' CZ2' ' A' ' 50' ' ' TRP . 14.9 tptt -64.16 -5.74 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 m120 59.48 48.8 9.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -113.99 174.59 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.3 m -127.81 119.25 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 68.56 44.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.421 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 38.4 tpp -64.88 112.35 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 79.0 p -96.51 -179.2 4.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 65' ' ' SER . 89.0 t80 -84.29 -42.7 15.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -51.02 -37.2 43.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -84.73 -10.9 56.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.429 ' O ' ' N ' ' A' ' 66' ' ' ARG . 16.2 ttp -90.88 -67.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.855 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.59 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.3 t -42.64 -23.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' MET . 0.8 OUTLIER -41.26 -50.92 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.066 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -57.87 -64.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.1 mm? -34.03 -46.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 72' ' ' TYR . 24.1 ttt-85 -57.96 -67.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 111' ' ' GLU . 15.5 m-70 -42.39 -35.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 22.9 m-85 -70.78 -38.09 73.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.849 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.3 m-30 -44.01 -44.73 7.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -64.47 -30.66 71.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.1 mt -76.39 1.29 16.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 65.75 39.16 4.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.462 HG22 HG13 ' A' ' 77' ' ' ILE . 58.6 mt -100.74 -45.47 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.524 ' CD1' HD12 ' A' ' 68' ' ' LEU . 92.3 mt -132.03 153.39 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' N ' HG22 ' A' ' 77' ' ' ILE . 12.0 ttp180 -128.21 125.1 38.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -86.13 106.78 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.04 140.09 11.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -40.4 5.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.15 -85.43 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -52.64 173.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.807 0.337 . . . . 0.0 110.903 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -100.75 -74.61 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.9 mp -82.47 54.94 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -112.21 133.38 54.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.675 ' N ' HD13 ' A' ' 86' ' ' LEU . 16.6 m-85 -130.96 138.28 49.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NE ' ' HG2' ' A' ' 90' ' ' MET . 1.2 tmm_? -123.47 118.99 28.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.774 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 13.9 m-85 -72.54 86.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.476 ' HG2' ' NE ' ' A' ' 88' ' ' ARG . 63.8 mtm -61.69 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tttp -80.56 163.29 23.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.952 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.615 HG23 ' HD2' ' A' ' 93' ' ' PRO . 100.0 m -75.98 137.63 69.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' HD2' HG23 ' A' ' 92' ' ' THR . 53.4 Cg_endo -69.73 -45.2 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.266 . . . . 0.0 112.362 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -51.79 -31.84 28.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -61.94 -53.27 58.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.631 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.3 mp -63.41 -45.24 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.3 mmt -34.7 -43.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -118.11 96.24 5.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -89.23 126.02 8.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 -89.0 -50.89 5.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -112.77 -54.47 2.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.66 82.48 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -70.56 150.43 46.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD22 HG21 ' A' ' 96' ' ' ILE . 13.8 tp -117.48 45.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -99.72 -41.35 7.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -51.87 -37.87 53.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 36.8 mt -86.72 30.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -98.56 -40.23 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.8 p -116.84 -47.09 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.836 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -43.06 -40.16 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.561 ' OE1' ' CD2' ' A' ' 70' ' ' HIS . 3.7 tp10 -62.69 -45.1 94.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.409 HD11 ' CE ' ' A' ' 54' ' ' LYS . 33.7 mt -61.26 162.77 7.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -110.0 168.32 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 115' ' ' PRO . . . 156.94 104.02 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.515 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 114' ' ' GLY . 53.9 Cg_endo -69.79 -11.66 31.26 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.1 m -104.84 138.97 40.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.3 t -125.85 -49.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -88.52 156.24 19.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -43.63 -50.88 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.16 -58.93 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 t -115.47 -46.18 2.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.88 0.371 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.5 p -137.09 135.16 37.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.92 89.06 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.1 p -147.67 137.81 22.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.849 0.357 . . . . 0.0 110.83 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -130.57 114.64 15.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' A' ' 12' ' ' TRP . 98.4 mt -140.6 -179.64 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.091 HD23 ' HB3' ' A' ' 67' ' ' ALA . 9.3 tp -91.15 -67.02 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.562 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.2 p-90 -33.1 -43.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 15' ' ' VAL . 22.8 t0 -67.38 -49.74 62.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 1.011 ' CE2' HD11 ' A' ' 18' ' ' LEU . 65.1 t80 -38.3 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.77 HG12 HD23 ' A' ' 19' ' ' LEU . 44.7 t -55.16 -61.26 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.129 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -45.54 -56.17 5.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -42.95 -31.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.011 HD11 ' CE2' ' A' ' 14' ' ' TYR . 96.0 mt -83.7 -57.63 3.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.77 HD23 HG12 ' A' ' 15' ' ' VAL . 2.0 mm? -41.39 -52.04 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.4 t -49.72 -50.46 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.17 100.24 3.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 p -52.84 -36.14 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -51.42 -17.33 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -107.84 30.55 6.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -75.11 -54.96 6.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -44.35 -31.44 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -87.72 -36.92 17.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.487 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -161.07 127.72 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -129.02 172.3 11.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.466 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 53.0 m95 -84.62 113.59 21.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -68.44 -60.43 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.422 ' HB2' HD12 ' A' ' 37' ' ' ILE . 20.3 m-20 -134.97 86.51 2.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HE3' ' CD1' ' A' ' 30' ' ' TRP . 12.7 mmtp -48.65 -37.28 17.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.9 61.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -113.15 28.08 9.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt 39.55 54.76 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.553 ' CG2' HD11 ' A' ' 86' ' ' LEU . 58.2 mt -105.19 129.07 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 89' ' ' PHE . 0.9 OUTLIER -123.85 160.08 28.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -145.49 132.11 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 40' ' ' ILE . 53.1 mt -75.49 95.64 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG23 ' HA ' ' A' ' 28' ' ' ILE . 46.7 t -47.21 -39.65 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.3 107.96 3.17 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -38.9 7.15 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.365 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.63 -32.59 74.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.99 -35.89 9.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.832 HD11 HD13 ' A' ' 18' ' ' LEU . 6.2 tp -72.47 -52.41 15.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -40.89 -42.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -48.91 -41.31 33.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.94 -48.97 66.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.581 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 24.4 t-105 -59.36 -34.37 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.978 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.24 -29.55 30.43 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -46.65 -68.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.624 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 3.9 p-80 -62.33 -36.43 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.624 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 4.3 tppt? -67.73 -2.26 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 58.93 41.34 21.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' HB2' ' NH1' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -124.93 75.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -47.65 -33.73 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.189 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -94.29 36.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 50' ' ' TRP . 51.2 tpp -78.84 111.4 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 61' ' ' TYR . 2.2 t -104.17 175.47 5.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.424 ' N ' ' OG1' ' A' ' 60' ' ' THR . 63.4 t80 -78.18 -41.26 35.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.31 -46.79 36.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -79.28 -14.21 59.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.415 ' O ' ' CD2' ' A' ' 11' ' ' LEU . 3.1 ttp -81.58 -63.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.541 ' HA ' HD23 ' A' ' 68' ' ' LEU . 51.8 p -46.96 -23.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -41.45 -60.23 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.091 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -47.86 -66.85 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.598 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.44 -45.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.523 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.19 -62.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.574 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 3.4 t60 -43.91 -35.58 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 1.048 ' CE1' HD12 ' A' ' 104' ' ' LEU . 26.4 m-85 -73.9 -38.1 64.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.4 m-30 -43.36 -42.49 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -66.97 -32.09 73.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 71' ' ' TYR . 9.3 mt -73.84 2.2 8.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m120 63.62 43.18 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.3 mt -108.49 -46.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 7.6 mt -134.35 141.53 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -120.22 129.56 54.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 67.2 tttt -89.15 112.57 23.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -59.95 134.78 90.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.97 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -45.68 -58.39 5.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.451 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.5 mm-40 -83.51 171.27 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -95.32 -72.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.7 mp -93.64 66.69 3.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.579 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -122.12 132.97 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' N ' HD13 ' A' ' 86' ' ' LEU . 15.2 m-85 -131.58 129.28 40.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.8 ttt85 -113.78 113.49 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 38' ' ' PHE . 6.1 m-85 -76.36 81.7 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -57.29 -65.73 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -85.2 170.35 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 95' ' ' GLU . 14.8 t -91.5 140.87 25.47 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.572 0.701 . . . . 0.0 111.112 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -31.07 21.24 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -67.81 -14.6 63.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.6 tp10 -82.24 -56.95 3.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.66 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.3 mp -63.7 -41.29 92.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 96' ' ' ILE . 8.5 mtm -34.49 -40.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.9 p -135.78 107.47 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.964 0.411 . . . . 0.0 110.84 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.91 82.55 1.59 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 101' ' ' THR . 2.4 tpm_? -153.26 113.24 3.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.854 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 100' ' ' ARG . 86.0 m -33.88 -66.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -90.99 94.67 9.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.19 94.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.048 HD12 ' CE1' ' A' ' 71' ' ' TYR . 1.5 pt? -58.14 -21.2 45.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.458 ' N ' HD23 ' A' ' 104' ' ' LEU . 10.6 mp0 -49.81 -32.48 14.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -43.7 -30.38 0.62 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.574 ' HG ' ' CD2' ' A' ' 70' ' ' HIS . 4.4 mm? -84.01 32.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.37 -57.49 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.9 p -118.73 -14.72 9.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 16.2 tm0? -62.9 -54.4 39.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -47.03 -50.47 19.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 18.3 mt -56.78 147.49 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.6 t -81.72 147.17 29.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 71.06 85.25 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 130.95 20.2 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.369 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -124.34 93.27 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.6 t -53.07 -58.16 7.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t 60.07 41.96 16.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 0.0 110.813 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -145.57 142.42 29.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.25 -139.74 34.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -52.21 128.07 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p -157.01 147.77 21.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.13 122.79 3.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.1 m -55.86 -66.94 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -157.59 123.94 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.783 HD21 ' HA ' ' A' ' 108' ' ' GLU . 5.7 mt -52.04 -177.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.089 HD23 ' HB3' ' A' ' 67' ' ' ALA . 8.6 tp -86.89 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.5 p-90 -33.65 -45.34 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.507 ' N ' ' CG ' ' A' ' 12' ' ' TRP . 13.8 t0 -71.61 -46.36 59.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' LEU . 51.6 t80 -39.52 -25.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.717 HG12 HD23 ' A' ' 19' ' ' LEU . 21.9 t -66.38 -57.26 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.142 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -52.75 -18.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -77.06 -37.76 54.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.768 ' CD1' HD21 ' A' ' 46' ' ' LEU . 82.9 mt -78.42 -57.22 3.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.717 HD23 HG12 ' A' ' 15' ' ' VAL . 2.7 mm? -36.68 -46.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.6 t -44.7 -63.83 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -62.63 148.8 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.9 p -98.68 -23.71 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -67.47 -6.4 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.471 ' O ' ' N ' ' A' ' 27' ' ' PHE . 3.3 m-85 -106.21 -9.36 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -33.36 -46.92 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.931 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.76 -48.08 59.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 24' ' ' TYR . 10.7 m-85 -70.18 -45.01 67.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.669 ' HA ' HG23 ' A' ' 41' ' ' VAL . 16.1 tt -158.26 132.27 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.437 ' HB3' ' CD ' ' A' ' 25' ' ' GLU . 14.5 ptt85 -130.33 169.47 15.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.518 ' CD2' ' HE3' ' A' ' 33' ' ' LYS . 17.5 m95 -82.87 111.56 18.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -68.94 -61.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.94 87.56 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HE3' ' CD2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER -50.38 -36.49 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -44.24 -47.76 9.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.7 OUTLIER -113.42 24.04 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? 49.58 42.84 23.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.866 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 ' CG1' ' HB3' ' A' ' 35' ' ' SER . 7.0 mt -89.62 120.39 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.196 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.784 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 46.7 p90 -114.93 158.69 21.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -144.3 118.19 9.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 40' ' ' ILE . 67.9 mt -66.36 94.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.669 HG23 ' HA ' ' A' ' 28' ' ' ILE . 22.0 t -39.21 -43.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -149.46 116.01 3.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 -37.57 9.05 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.301 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -63.82 -42.23 97.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.34 -36.31 21.0 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 ' CD1' ' A' ' 18' ' ' LEU . 2.5 tm? -69.37 -48.05 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' TRP . . . -50.9 -55.29 17.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -38.36 -42.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 46' ' ' LEU . 9.0 mt -66.49 -40.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.644 ' HE1' ' HE1' ' A' ' 59' ' ' MET . 8.1 t-105 -70.71 -33.5 70.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.477 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -84.7 -26.31 38.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -65.3 -64.68 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' CD2' ' C ' ' A' ' 53' ' ' HIS . 1.2 p-80 -60.91 -14.0 19.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HG2' ' NE2' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -96.29 19.13 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.8 t30 42.3 39.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -105.54 143.61 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.7 m -99.14 131.17 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 50.69 53.21 13.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.644 ' HE1' ' HE1' ' A' ' 50' ' ' TRP . 24.8 tpp -69.88 110.2 4.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.441 HG22 ' HD2' ' A' ' 63' ' ' LYS . 5.2 t -98.01 151.25 20.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 65' ' ' SER . 71.9 t80 -57.07 -30.06 63.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -50.94 -47.93 60.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HD2' HG22 ' A' ' 60' ' ' THR . 26.7 mttp -80.31 -13.19 59.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.0 ttp -80.47 -66.41 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.578 ' HB3' ' CE2' ' A' ' 61' ' ' TYR . 70.7 p -42.52 -29.85 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' SER . 9.2 mmm180 -35.8 -44.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.089 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -65.31 -69.54 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.588 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -34.41 -41.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 10.8 tpt180 -57.0 -65.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -43.79 -37.73 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' HE2' ' HB1' ' A' ' 67' ' ' ALA . 87.3 m-85 -66.74 -33.97 76.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.0 m-30 -48.85 -37.6 19.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 mptt -74.64 -29.76 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 HD11 ' A' ' 104' ' ' LEU . 6.8 mt -75.6 2.9 10.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.21 41.78 26.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG22 HG13 ' A' ' 77' ' ' ILE . 87.5 mt -111.96 -39.45 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.573 HG12 ' CD1' ' A' ' 89' ' ' PHE . 6.2 mt -135.82 142.11 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 mmm180 -123.56 149.85 44.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -105.81 102.57 12.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -60.24 133.74 90.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.21 -68.73 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 86' ' ' LEU . 13.1 mm100 -53.49 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.777 0.323 . . . . 0.0 110.91 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.415 ' HG2' HD22 ' A' ' 85' ' ' LEU . 41.6 ttp180 -107.35 -66.02 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 85' ' ' LEU . 3.7 mm? -112.37 55.99 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 83' ' ' GLN . 0.0 OUTLIER -105.46 128.25 53.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.949 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 35.3 m-85 -131.52 149.62 52.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -125.63 118.25 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.784 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 4.8 m-85 -82.92 75.73 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 33.9 mtm -50.44 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.74 150.94 42.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.608 HG23 ' HD2' ' A' ' 93' ' ' PRO . 96.9 m -68.46 137.25 90.98 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.567 0.699 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.608 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.73 -46.63 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.333 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -57.96 -26.09 61.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -52.46 -51.24 60.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 96' ' ' ILE . 5.0 mp -64.67 -54.04 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.3 mmt -34.37 -52.95 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 m -40.72 -74.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.13 79.27 0.15 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -119.87 -69.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.374 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' ASP . 0.4 OUTLIER -83.28 165.3 19.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.18 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' THR . 30.7 t70 -33.59 104.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 102' ' ' ASP . 56.2 mtp180 -33.69 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.551 HD11 HD13 ' A' ' 74' ' ' LEU . 2.3 tt -55.82 -32.24 63.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -40.04 -31.51 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -46.96 -44.59 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.8 39.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.783 ' HA ' HD21 ' A' ' 10' ' ' LEU . 5.7 tp10 -72.43 -48.7 39.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 110' ' ' GLN . 42.3 m -95.85 -42.12 8.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 109' ' ' SER . 36.2 tp60 -34.21 -45.17 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.939 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' OE1' ' CD2' ' A' ' 10' ' ' LEU . 73.2 mt-10 -58.63 -58.1 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.6 mt -67.51 157.32 34.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.5 m -94.17 105.01 17.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.97 -156.92 8.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.513 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' SER . 54.0 Cg_endo -69.83 2.97 3.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -34.39 135.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.8 p -46.96 130.48 12.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -128.34 114.73 17.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 p -120.97 153.07 37.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.05 155.61 27.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.416 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -151.68 157.42 42.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -129.85 114.17 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.74 146.13 5.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 89.2 m -89.35 134.95 33.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.5 tpp85 -114.63 87.69 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD13 ' HE1' ' A' ' 12' ' ' TRP . 8.5 mt -146.37 -175.3 4.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.996 HD23 ' HB3' ' A' ' 67' ' ' ALA . 6.3 tp -118.39 -60.79 1.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.2 p-90 -36.53 -35.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' VAL . 36.8 t70 -73.09 -44.2 60.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CZ ' HD11 ' A' ' 18' ' ' LEU . 23.6 t80 -41.02 -24.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 13' ' ' ASP . 42.6 t -59.16 -72.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.0 t80 -37.44 -59.76 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' TYR . 84.0 mm-40 -35.13 -40.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 ' CD1' HD21 ' A' ' 46' ' ' LEU . 42.7 mt -72.01 -63.19 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' ' CE2' ' A' ' 30' ' ' TRP . 1.6 mm? -36.82 -56.2 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.0 m -43.57 -51.46 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -78.13 98.76 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' GLU . 53.9 p -49.91 -40.86 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.6 mtt85 -42.08 -28.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -99.48 34.31 2.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' SER . 16.7 mt-10 -76.32 -51.63 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -50.12 -32.67 16.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -81.88 -41.8 20.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 28' ' ' ILE . 15.7 tt -160.66 121.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.5 ptt85 -120.65 165.35 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 15.8 m95 -70.59 118.36 13.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HG3' HD21 ' A' ' 86' ' ' LEU . 1.6 tm-20 -73.23 -61.97 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.555 ' HB2' HD12 ' A' ' 37' ' ' ILE . 85.1 m-20 -135.0 84.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.586 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 10.9 mmtt -44.28 -21.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 32' ' ' ASP . 40.9 mt-10 -62.64 -42.55 99.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.494 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -123.75 39.08 4.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.842 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 37.38 43.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.599 ' CG2' HD11 ' A' ' 86' ' ' LEU . 8.9 mt -89.88 124.03 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 87' ' ' PHE . 1.5 p90 -116.7 162.71 17.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.8 ttt-85 -143.89 109.98 5.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.551 HG22 ' O ' ' A' ' 40' ' ' ILE . 46.4 mt -57.15 92.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.6 t -48.06 -40.6 9.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HD2' ' A' ' 43' ' ' PRO . 1.9 t70 -146.2 106.42 4.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.599 0.714 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 42' ' ' ASP . 53.9 Cg_endo -69.75 -32.76 17.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.651 2.234 . . . . 0.0 112.344 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.03 -38.35 90.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.2 -23.28 38.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.771 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -81.13 -45.84 15.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -50.04 -56.27 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.0 ptt85 -45.37 -53.95 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 46' ' ' LEU . 18.7 mt -49.57 -38.14 30.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.575 ' CH2' ' HB2' ' A' ' 11' ' ' LEU . 12.8 t-105 -72.23 -38.98 68.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' HA2' ' HE3' ' A' ' 59' ' ' MET . . . -63.84 -55.19 26.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -51.8 -39.89 59.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.3 -52.0 67.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' ASN . 9.6 mmmt -83.23 37.11 0.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' LYS . 68.2 m-20 33.79 49.62 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.3 tpt85 -126.73 141.98 51.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' ASN . 36.1 m -107.85 159.98 16.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 57' ' ' THR . 57.5 m-20 56.88 41.43 27.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.452 ' HE3' ' HA2' ' A' ' 51' ' ' GLY . 51.8 tpp -79.75 119.11 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.5 t -109.8 133.84 52.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.193 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -44.75 -36.37 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -53.04 -38.33 62.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -84.08 -8.67 59.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.3 ttp -87.93 -57.37 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.7 t -43.14 -27.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 mmt-85 -44.04 -66.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.996 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -41.88 -69.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.4 mm? -34.12 -38.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.571 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -58.52 -68.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -38.95 -47.54 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 12' ' ' TRP . 95.5 m-85 -54.77 -39.04 67.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 14.1 m-30 -43.05 -52.82 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.41 -32.23 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.4 mt -74.66 4.55 6.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 60.78 46.1 9.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.523 HG22 HG13 ' A' ' 77' ' ' ILE . 24.2 mt -111.64 -46.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG13 HG22 ' A' ' 76' ' ' ILE . 19.7 mt -129.43 147.71 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -121.83 111.08 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.509 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 44.4 tttt -76.17 104.36 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.441 ' OE1' ' NE2' ' A' ' 83' ' ' GLN . 77.1 mt-10 -51.08 138.57 25.4 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.737 . . . . 0.0 110.933 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -44.95 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.47 -47.54 69.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.499 ' CG ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -116.41 137.34 52.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -81.1 -39.64 25.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.31 27.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.686 HD13 ' N ' ' A' ' 87' ' ' PHE . 0.2 OUTLIER -118.86 129.59 55.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.686 ' N ' HD13 ' A' ' 86' ' ' LEU . 8.7 m-85 -128.26 141.17 51.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -116.76 123.35 46.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 1.5 m-85 -80.52 79.53 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 46.2 mtp -46.17 -72.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -94.54 153.6 17.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.613 HG23 ' HD2' ' A' ' 93' ' ' PRO . 89.0 m -63.42 137.98 97.23 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.702 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.7 -46.15 1.36 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.41 -33.06 67.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' C ' ' CD ' ' A' ' 95' ' ' GLU . 2.2 tp10 -70.93 -58.96 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.462 ' O ' ' C ' ' A' ' 97' ' ' MET . 19.4 mt -39.48 -40.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 96' ' ' ILE . 11.1 mmt -33.74 -40.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.9 p -81.02 104.51 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' H ' ' CZ ' ' A' ' 103' ' ' ARG . . . -135.42 -155.21 7.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -128.3 -69.56 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 102' ' ' ASP . 1.4 t -82.31 178.72 8.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 101' ' ' THR . 1.1 m-20 -34.91 104.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.823 ' O ' HD12 ' A' ' 104' ' ' LEU . 15.1 mmt-85 -62.76 83.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER 35.88 36.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -71.47 -41.38 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.567 ' H ' ' CD2' ' A' ' 106' ' ' HIS . 0.6 OUTLIER -50.09 -24.09 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -84.83 25.09 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.621 ' O ' HD12 ' A' ' 112' ' ' LEU . 28.9 tt0 -92.15 -61.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 112' ' ' LEU . 48.4 t -98.54 -38.36 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 109' ' ' SER . 1.8 tp-100 -36.87 -54.55 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.66 38.26 0.56 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 108' ' ' GLU . 91.8 mt -153.96 136.85 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 45.9 t -57.46 147.9 25.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 128.73 -175.17 18.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 178.1 4.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.319 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 33.6 m -91.99 -62.6 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.9 m -53.57 -61.81 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 p -104.9 119.59 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 p -49.06 -48.72 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.86 156.88 16.69 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -126.62 99.75 5.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 t -69.64 -49.11 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.07 106.12 0.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.465 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' C ' ' HG2' ' A' ' 9' ' ' ARG . 31.3 p -88.07 46.33 1.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' HG2' ' C ' ' A' ' 8' ' ' CYS . 8.9 mmm180 -145.41 112.65 6.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 HD23 ' OH ' ' A' ' 71' ' ' TYR . 6.1 mp -92.72 169.59 10.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.013 HD23 ' HB3' ' A' ' 67' ' ' ALA . 12.4 tp -75.95 -72.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.659 ' NE1' HD21 ' A' ' 104' ' ' LEU . 16.8 p-90 -34.44 -34.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 11' ' ' LEU . 24.3 t0 -75.83 -47.23 26.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.539 ' CE2' HD11 ' A' ' 18' ' ' LEU . 6.0 t80 -41.87 -24.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 19' ' ' LEU . 58.6 t -54.94 -66.76 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.3 t80 -36.97 -57.75 0.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' TYR . 1.2 tm0? -35.2 -43.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 14' ' ' TYR . 91.9 mt -73.56 -55.82 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 15' ' ' VAL . 1.5 mm? -41.99 -53.57 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -49.22 -43.94 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.815 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.62 107.52 15.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.5 m -59.58 -34.72 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -48.43 -21.37 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -105.1 33.01 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -72.79 -40.88 65.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -60.78 -32.97 72.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -82.33 -41.64 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.427 HD11 ' HD2' ' A' ' 38' ' ' PHE . 16.1 tt -161.94 129.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -132.52 172.31 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CD1' ' HE2' ' A' ' 33' ' ' LYS . 46.8 m95 -81.86 114.17 20.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.24 -59.76 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.9 71.98 1.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.582 ' HE2' ' CD1' ' A' ' 30' ' ' TRP . 22.1 mttt -39.9 -29.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -42.47 -47.17 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 m -117.28 21.33 13.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm 59.69 48.51 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.609 ' CG2' HD11 ' A' ' 86' ' ' LEU . 81.6 mt -100.0 125.46 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.794 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 2.3 p90 -117.27 169.98 9.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' HB2' HD22 ' A' ' 86' ' ' LEU . 51.7 ttt-85 -152.77 129.81 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 85' ' ' LEU . 51.0 mt -76.8 91.95 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HD3' ' A' ' 29' ' ' ARG . 65.3 t -41.17 -45.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -146.45 117.36 4.76 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -29.99 22.95 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -71.06 -36.94 72.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.65 -31.77 17.55 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.705 ' O ' HD13 ' A' ' 46' ' ' LEU . 1.1 tm? -70.82 -51.0 29.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.788 0.328 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.63 -50.53 62.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.3 mtt-85 -38.28 -56.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.3 mt -59.42 -39.44 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.58 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 7.5 t-105 -66.41 -32.58 74.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.462 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -85.1 -31.83 22.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -49.83 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.8 p-80 -58.62 -46.99 85.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.594 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 13.6 tptt -55.73 -13.53 1.76 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m120 69.47 46.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -129.37 81.25 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.87 -32.27 1.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -105.81 57.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.462 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 47.2 tpp -93.86 107.67 19.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 63' ' ' LYS . 11.2 t -101.19 157.89 16.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.53 -36.89 76.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -51.7 -39.64 58.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.554 ' H ' HG23 ' A' ' 60' ' ' THR . 35.0 mttm -82.98 -13.37 56.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.444 ' HG2' HD21 ' A' ' 11' ' ' LEU . 5.4 ttp -83.95 -54.93 4.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.555 ' HA ' HD23 ' A' ' 68' ' ' LEU . 12.3 t -49.82 -38.43 34.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.825 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -40.7 -41.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.013 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -63.0 -67.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.084 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.3 mm? -34.26 -45.14 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 3.3 mmm180 -55.72 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -39.17 -37.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CD2' ' HB3' ' A' ' 12' ' ' TRP . 28.1 m-85 -73.87 -37.3 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 12.7 m-30 -43.99 -44.04 7.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.7 -29.78 70.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 71' ' ' TYR . 6.7 mt -77.09 7.41 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.43 44.16 12.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.1 mt -109.05 -43.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 72' ' ' TYR . 37.3 mt -132.0 149.65 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.208 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -123.1 134.52 54.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -97.65 116.93 30.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' OE1' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -57.88 148.73 57.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.66 0.743 . . . . 0.0 110.902 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -51.33 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.755 2.304 . . . . 0.0 112.344 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.58 -92.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -48.08 172.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.832 ' HG2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -119.65 -28.27 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.832 HD12 ' HG2' ' A' ' 84' ' ' ARG . 0.6 OUTLIER -103.98 37.34 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 ' CG2' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -113.71 131.75 56.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 10.3 m-85 -134.2 127.96 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.484 ' CG ' HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -111.41 114.65 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.794 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 17.9 m-85 -69.37 81.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 89' ' ' PHE . 40.9 mmm -34.8 -74.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -99.88 172.64 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.53 ' O ' HD12 ' A' ' 96' ' ' ILE . 22.3 m -71.38 133.69 85.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.699 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 92' ' ' THR . 54.2 Cg_endo -69.72 -38.33 8.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.254 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -62.36 -25.02 67.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.24 -39.09 82.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.53 HD12 ' O ' ' A' ' 92' ' ' THR . 5.2 mp -78.41 -49.05 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 96' ' ' ILE . 16.5 mtt -34.42 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 96' ' ' ILE . 5.3 t -102.69 81.59 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.88 156.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.639 ' HD2' HG22 ' A' ' 101' ' ' THR . 1.6 tmm_? -172.25 151.65 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.639 HG22 ' HD2' ' A' ' 100' ' ' ARG . 3.7 t -46.13 -21.1 0.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.55 ' OD1' HG23 ' A' ' 101' ' ' THR . 7.6 m-20 -133.66 97.41 3.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 -38.56 134.23 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.659 HD21 ' NE1' ' A' ' 12' ' ' TRP . 26.6 tp -113.35 -12.73 12.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -82.67 38.28 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -122.42 -34.15 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.9 mp -93.18 21.4 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.03 -39.57 86.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -131.1 45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -88.2 -49.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -99.81 34.96 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.431 HD11 ' HZ2' ' A' ' 50' ' ' TRP . 26.3 mt -144.67 172.07 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -87.91 -63.15 1.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 47.84 -177.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 122.29 8.97 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.6 t -130.36 88.6 2.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.6 m -71.47 108.27 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -162.18 118.13 1.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.834 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -168.24 172.34 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 42.71 5.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -87.84 142.87 27.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 t -160.78 135.31 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.83 62.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.5 m -133.02 138.56 46.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.355 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -119.66 155.37 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.537 HD13 ' HE1' ' A' ' 12' ' ' TRP . 45.0 mt -115.35 162.13 17.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.02 HD23 ' HB3' ' A' ' 67' ' ' ALA . 4.7 tp -97.54 -65.71 0.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.543 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 3.4 p-90 -33.75 -42.97 0.12 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' VAL . 28.5 t70 -68.75 -49.86 55.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.589 ' CE2' HD11 ' A' ' 18' ' ' LEU . 27.2 t80 -38.41 -26.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 HD23 ' A' ' 19' ' ' LEU . 61.8 t -59.63 -64.01 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.167 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.2 t80 -40.12 -59.81 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' TYR . 15.1 mm100 -35.17 -44.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 46' ' ' LEU . 47.6 mt -70.19 -60.81 2.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 HD23 HG12 ' A' ' 15' ' ' VAL . 2.5 mm? -36.9 -52.14 0.93 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 t -41.52 -62.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.87 154.47 25.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 -19.01 14.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 57.8 mtt-85 -70.16 -8.74 52.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 27' ' ' PHE . 4.3 m-85 -103.45 -13.41 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 24' ' ' TYR . 2.7 tm-20 -33.17 -48.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.49 ' O ' HG11 ' A' ' 41' ' ' VAL . 2.2 m-20 -53.18 -48.17 68.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 24' ' ' TYR . 37.4 m-85 -71.54 -41.58 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.6 tt -157.26 132.44 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD2' ' CD ' ' A' ' 25' ' ' GLU . 3.1 ptm180 -134.17 169.19 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 19' ' ' LEU . 30.4 m95 -80.84 126.29 31.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -86.67 -56.66 3.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.758 ' CB ' HD12 ' A' ' 37' ' ' ILE . 7.8 t0 -131.27 81.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.22 -22.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -63.87 -42.53 97.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.08 24.91 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt 49.12 42.48 21.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.758 HD12 ' CB ' ' A' ' 32' ' ' ASP . 17.5 mt -87.46 120.41 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.797 ' CE1' ' CE2' ' A' ' 89' ' ' PHE . 9.8 p90 -119.45 153.3 35.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.712 ' HB2' HD22 ' A' ' 86' ' ' LEU . 20.8 ttt85 -140.07 129.33 23.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 40' ' ' ILE . 45.3 mt -71.96 98.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' HA ' ' A' ' 28' ' ' ILE . 39.6 t -47.5 -41.1 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -152.91 108.94 2.68 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.584 0.707 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HG3' HD21 ' A' ' 85' ' ' LEU . 53.9 Cg_endo -69.71 -29.42 24.15 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 2.277 . . . . 0.0 112.361 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.49 -13.93 57.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 18' ' ' LEU . 1.5 tm? -94.44 -47.3 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -46.6 -39.08 10.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -56.55 -50.58 71.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.71 -30.25 63.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.573 ' CZ3' ' HA ' ' A' ' 11' ' ' LEU . 19.5 t-105 -79.31 -39.5 32.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' CB ' ' A' ' 59' ' ' MET . . . -75.64 -29.02 60.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -51.57 -68.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.547 ' CD2' ' N ' ' A' ' 54' ' ' LYS . 1.1 p-80 -59.93 -40.4 88.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.547 ' N ' ' CD2' ' A' ' 53' ' ' HIS . 1.9 tptp -61.42 -8.52 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.7 t30 66.16 49.71 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -134.12 92.92 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -59.82 -11.64 5.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -124.98 60.25 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.419 ' CB ' ' HA3' ' A' ' 51' ' ' GLY . 42.5 tpp -95.75 114.1 25.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.7 t -109.74 141.09 42.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 65' ' ' SER . 85.0 t80 -47.82 -39.85 19.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -49.7 -35.86 23.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -91.37 -9.48 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.0 ttp -88.44 -63.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 61' ' ' TYR . 62.2 p -48.18 -19.62 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -48.84 -47.13 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -59.45 -67.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.593 ' O ' ' CD1' ' A' ' 72' ' ' TYR . 1.8 mm? -33.98 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.952 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.545 ' HA ' ' CD2' ' A' ' 72' ' ' TYR . 7.9 tpt180 -66.33 -49.72 66.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.674 ' ND1' HD11 ' A' ' 107' ' ' LEU . 9.3 m-70 -52.16 -37.24 54.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.641 ' CE2' HD11 ' A' ' 104' ' ' LEU . 75.2 m-85 -69.49 -37.3 77.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 13.3 m-30 -44.55 -52.0 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -30.46 71.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.63 4.77 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 40.52 20.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.2 mt -107.64 -43.27 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.556 HG12 ' CD1' ' A' ' 89' ' ' PHE . 24.6 mt -126.75 145.9 33.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' CE ' ' A' ' 90' ' ' MET . 4.9 tpm_? -126.1 111.75 15.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -70.88 107.22 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -52.71 138.24 42.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 160.16 50.74 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.18 -70.52 3.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -52.65 175.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.787 0.327 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.4 mtt-85 -107.65 -57.6 2.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD21 ' HG3' ' A' ' 43' ' ' PRO . 10.9 mp -109.54 59.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -118.37 125.49 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.476 ' HB2' ' CE1' ' A' ' 38' ' ' PHE . 19.1 m-85 -125.59 152.53 44.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' NH1' ' HG2' ' A' ' 90' ' ' MET . 32.3 ttp85 -126.97 117.88 23.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.797 ' CE2' ' CE1' ' A' ' 38' ' ' PHE . 5.9 m-85 -87.89 64.98 8.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.48 ' CE ' ' HB2' ' A' ' 78' ' ' ARG . 4.2 mtt -40.47 -74.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -81.36 143.43 32.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.539 HG22 ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -53.38 137.92 49.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.556 0.694 . . . . 0.0 111.117 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' A' ' 92' ' ' THR . 54.0 Cg_endo -69.72 -18.31 37.25 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.61 -7.0 38.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.455 ' CD ' ' O ' ' A' ' 95' ' ' GLU . 6.8 tp10 -72.59 -29.93 63.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.457 ' O ' ' C ' ' A' ' 97' ' ' MET . 15.3 mt -81.1 -44.77 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 96' ' ' ILE . 67.3 mtt -34.21 -48.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 99' ' ' GLY . 37.0 t -46.7 136.77 7.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 98' ' ' SER . . . -36.99 116.58 0.37 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 19.7 ttt85 -131.45 174.94 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 56.1 m -60.33 -58.68 7.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -92.38 128.57 38.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -88.14 113.35 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.641 HD11 ' CE2' ' A' ' 71' ' ' TYR . 1.5 tm? -58.78 -33.09 69.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -45.42 -27.44 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -56.42 -39.35 72.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.674 HD11 ' ND1' ' A' ' 70' ' ' HIS . 3.3 mm? -83.77 32.5 0.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 109' ' ' SER . 1.6 pp20? -77.95 -46.58 20.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.409 ' HB2' ' CD ' ' A' ' 108' ' ' GLU . 3.3 m -134.95 47.89 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -96.43 -63.74 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.914 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 111' ' ' GLU . 0.6 OUTLIER -66.67 -44.64 81.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' N ' ' OE1' ' A' ' 111' ' ' GLU . 73.5 mt -50.33 -51.96 40.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -172.43 158.47 4.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -78.6 -95.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.3 2.52 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.715 2.277 . . . . 0.0 112.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 45.8 t -96.81 132.65 42.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.2 m -140.48 154.27 46.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 -179.966 . . . . . . . . 0 0 . 1 stop_ save_