data_1x5j_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 1x5j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.435 ' CE ' HG21 ' A' ' 87' ' ' VAL . 96.5 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' CZ2' HG12 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.521 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 67' ' ' THR . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 88' ' ' THR . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 87' ' ' VAL . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 HG22 ' CE2' ' A' ' 105' ' ' PHE . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CE3' HG22 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 34' ' ' LEU . 2.0 tp60 -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.505 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' ' 67' ' ' THR . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' N ' HD12 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.549 HG22 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 88' ' ' THR . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 87' ' ' VAL . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.533 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CE2' HG22 ' A' ' 19' ' ' ILE . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.452 ' N ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.438 HG22 ' CE2' ' A' ' 105' ' ' PHE . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.448 ' NE ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.448 HG22 ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' CG ' HD11 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' N ' ' OG1' ' A' ' 67' ' ' THR . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 19' ' ' ILE . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.2 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 87' ' ' VAL . 13.0 mmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' A' ' 105' ' ' PHE . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 22.2 p-80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' HG23 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.473 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.415 ' ND2' HD21 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 5.0 p30 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.457 HG22 ' CE1' ' A' ' 81' ' ' TYR . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD21 ' ND2' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE1' HG22 ' A' ' 79' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.556 HG23 ' CE3' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG21 ' CE ' ' A' ' 9' ' ' MET . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.426 ' O ' ' CG2' ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 19' ' ' ILE . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 105' ' ' PHE . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.463 ' CZ3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' OD2' ' CD2' ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 81' ' ' TYR . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.458 ' CE2' HG21 ' A' ' 79' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.463 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 88' ' ' THR . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 87' ' ' VAL . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' A' ' 19' ' ' ILE . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.402 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.51 HG21 ' CE2' ' A' ' 105' ' ' PHE . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' HD21 ' A' ' 107' ' ' LEU . 36.8 p-80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.465 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HG2' ' CG2' ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.445 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.481 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.469 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.445 HG21 ' CE1' ' A' ' 45' ' ' TYR . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.45 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.423 ' CG2' ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 19' ' ' ILE . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 22' ' ' HIS . 41.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 66.1 mtp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.562 HG23 ' CE2' ' A' ' 105' ' ' PHE . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.517 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 67' ' ' THR . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.471 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 88' ' ' THR . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE2' HG23 ' A' ' 19' ' ' ILE . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 13.2 p80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.436 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 52' ' ' THR . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 85' ' ' VAL . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 31' ' ' ASP . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.63 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.525 HG21 ' CE2' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.453 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.525 ' CE2' HG21 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.4 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 105' ' ' PHE . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.435 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.409 ' ND2' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD13 ' ND2' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 52' ' ' THR . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 25' ' ' ILE . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.404 ' C ' HG23 ' A' ' 85' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.461 ' HB ' ' CG ' ' A' ' 12' ' ' PRO . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 89' ' ' LYS . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 88' ' ' THR . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 19' ' ' ILE . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.572 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 94' ' ' SER . 97.8 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' CE2' ' A' ' 81' ' ' TYR . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.492 ' CE2' HG23 ' A' ' 79' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.532 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.418 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' CD2' HD21 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.527 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.566 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' A' ' 22' ' ' HIS . 38.5 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.465 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.4 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.522 HG23 ' CE2' ' A' ' 105' ' ' PHE . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.408 ' C ' HG13 ' A' ' 25' ' ' ILE . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' HG13 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD23 ' NH2' ' A' ' 44' ' ' ARG . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' NH2' HD23 ' A' ' 34' ' ' LEU . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 67' ' ' THR . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 81' ' ' TYR . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 79' ' ' THR . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' HG21 ' A' ' 87' ' ' VAL . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' A' ' 19' ' ' ILE . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.417 ' C ' HD21 ' A' ' 107' ' ' LEU . 2.4 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 27' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' CD1' ' A' ' 107' ' ' LEU . 56.4 p-80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.41 HD13 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB1' ' A' ' 17' ' ' ALA . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG23 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.469 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.447 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HB ' ' A' ' 52' ' ' THR . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CD2' HG22 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.56 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.408 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' MET . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 59.8 m80 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.41 ' CG2' HD13 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.427 ' CE ' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 HG22 ' CE2' ' A' ' 105' ' ' PHE . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 25' ' ' ILE . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.409 ' N ' HG22 ' A' ' 24' ' ' THR . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' NE2' ' A' ' 38' ' ' GLN . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' OD1' ' A' ' 31' ' ' ASP . 3.0 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASN . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.427 ' N ' ' OG1' ' A' ' 67' ' ' THR . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.438 ' CD1' HG22 ' A' ' 72' ' ' VAL . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 70' ' ' TYR . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG21 ' CE ' ' A' ' 9' ' ' MET . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CE2' HG22 ' A' ' 19' ' ' ILE . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 50.6 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.328 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.537 HG23 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.449 HD13 ' CG2' ' A' ' 104' ' ' THR . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' HG23 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.461 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tp60 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.511 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CZ ' HG21 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 88' ' ' THR . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 87' ' ' VAL . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 88' ' ' THR . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.449 ' CG2' HD13 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.416 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 24' ' ' THR . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.402 ' CD1' HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.666 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.561 HG23 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.432 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE1' HG23 ' A' ' 52' ' ' THR . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 89' ' ' LYS . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' THR . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' LYS . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.431 ' CD2' HD12 ' A' ' 80' ' ' LEU . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.568 ' CG2' ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.441 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE2' ' CG2' ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.504 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' CE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CZ ' HG23 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HG23 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG23 ' CE ' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.408 ' C ' HG13 ' A' ' 25' ' ' ILE . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.421 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CE3' HG23 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.451 HG23 ' CE2' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.459 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' N ' ' OD2' ' A' ' 23' ' ' ASP . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' A' ' 79' ' ' THR . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.458 ' CE1' ' CG2' ' A' ' 79' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 89' ' ' LYS . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.32 124.4 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -65.78 -45.91 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 163.08 -35.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.7 m -37.01 -60.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -60.33 -179.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.71 60.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.4 31.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.435 ' CE ' HG21 ' A' ' 87' ' ' VAL . 96.5 mtp -54.51 149.57 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' CZ2' HG12 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.521 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 56' ' ' ALA . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' N ' ' OG1' ' A' ' 67' ' ' THR . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.521 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.489 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 88' ' ' THR . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.453 ' N ' HG22 ' A' ' 87' ' ' VAL . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp -97.98 -59.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -37.73 -54.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.65 164.75 29.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 171.02 15.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.0 t -103.72 152.06 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.5 p -54.45 123.83 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -96.32 175.43 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -94.09 -51.22 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.97 -166.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -97.49 -179.13 4.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -100.82 177.56 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.63 43.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm -53.7 167.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 HG22 ' CE2' ' A' ' 105' ' ' PHE . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' CE3' HG22 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HB2' ' A' ' 34' ' ' LEU . 2.0 tp60 -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.505 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.9 OUTLIER -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.422 ' N ' ' OG1' ' A' ' 67' ' ' THR . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG23 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 80' ' ' LEU . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' N ' HD12 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.455 ' CE1' HG23 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.549 HG22 ' CE3' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.512 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 88' ' ' THR . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.452 ' N ' HG22 ' A' ' 87' ' ' VAL . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.533 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.448 ' CE2' HG22 ' A' ' 19' ' ' ILE . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 39.5 tp -102.68 91.52 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 123.91 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.69 -91.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 53.9 Cg_endo -69.72 -5.63 16.64 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' PRO . 89.7 p -36.15 118.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -72.34 164.15 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -122.32 44.0 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.8 t -81.31 -50.17 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.92 56.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -118.35 137.35 53.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 p -96.35 170.07 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -92.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -177.12 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp -70.18 153.38 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.452 ' N ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.438 HG22 ' CE2' ' A' ' 105' ' ' PHE . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.568 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.448 ' NE ' HG22 ' A' ' 28' ' ' THR . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.448 HG22 ' NE ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.555 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' CG ' HD11 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.547 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.547 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' N ' ' OG1' ' A' ' 67' ' ' THR . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.555 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.438 ' CE2' HG22 ' A' ' 19' ' ' ILE . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 39.2 tp -97.89 -54.49 3.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . 2.7 t -37.48 149.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.54 -159.16 23.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -118.68 175.28 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.9 m -80.52 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -113.88 84.7 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -132.8 155.98 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.61 -51.32 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -97.17 176.57 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -39.53 159.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.59 -161.09 28.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.76 67.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.467 ' CE ' HG21 ' A' ' 87' ' ' VAL . 13.0 mmm -50.34 139.05 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.558 HG21 ' CE2' ' A' ' 105' ' ' PHE . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 22.2 p-80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' CE3' HG23 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.473 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.558 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.448 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.415 ' ND2' HD21 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.558 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 5.0 p30 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.457 HG22 ' CE1' ' A' ' 81' ' ' TYR . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD21 ' ND2' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE1' HG22 ' A' ' 79' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.556 HG23 ' CE3' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG21 ' CE ' ' A' ' 9' ' ' MET . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' O ' ' CG2' ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.502 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CE2' HG21 ' A' ' 19' ' ' ILE . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -49.84 -62.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 76.0 p -87.68 -53.88 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.73 -152.16 17.14 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 p -80.35 -175.56 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.6 p -159.24 107.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -121.2 154.29 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -116.14 166.22 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 44.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 154.37 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -110.66 -55.03 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.92 64.44 0.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.69 18.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm -97.36 166.19 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 105' ' ' PHE . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.463 ' CZ3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' OD2' ' CD2' ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.454 HG23 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' CD2' ' OD2' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 81' ' ' TYR . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.458 ' CE2' HG21 ' A' ' 79' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.463 HG21 ' CZ3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 88' ' ' THR . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 87' ' ' VAL . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.526 ' CD2' HG21 ' A' ' 19' ' ' ILE . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp -97.99 82.87 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -140.83 168.79 18.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.14 -93.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -44.85 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -79.06 53.77 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -53.45 -44.49 68.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -105.26 163.49 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -121.21 -55.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 148.91 36.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.57 61.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -146.03 144.99 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.09 87.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 171.46 14.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.402 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp -46.15 134.71 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG21 ' CE2' ' A' ' 105' ' ' PHE . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.463 ' CD2' HD21 ' A' ' 107' ' ' LEU . 36.8 p-80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.481 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.649 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.465 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.498 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.454 ' CE2' HG23 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.454 HG23 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HG2' ' CG2' ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.445 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.481 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.469 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.445 HG21 ' CE1' ' A' ' 45' ' ' TYR . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.45 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.423 ' CG2' ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 19' ' ' ILE . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 HD21 ' CD2' ' A' ' 22' ' ' HIS . 41.3 tp -102.81 -48.49 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.2 t -105.39 91.67 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.48 72.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.57 33.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.0 p -146.12 136.82 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -126.8 116.09 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -172.94 138.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -162.58 170.79 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.5 131.45 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.19 39.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -114.21 -44.74 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.02 68.76 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 66.1 mtp -88.33 141.32 28.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.562 HG23 ' CE2' ' A' ' 105' ' ' PHE . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.517 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.415 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.531 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 67' ' ' THR . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 25' ' ' ILE . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.471 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.462 HG22 ' N ' ' A' ' 88' ' ' THR . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE2' HG23 ' A' ' 19' ' ' ILE . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt -62.4 127.16 30.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.7 m -43.26 -72.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.87 149.71 6.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.22 4.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.5 p -39.19 120.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.2 t -94.96 -36.13 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 p -158.48 144.49 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -135.99 152.43 50.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 136.61 8.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -109.36 78.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -90.77 109.15 20.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.93 -74.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.7 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm -52.65 141.88 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.532 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 13.2 p80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' CG2' ' HG3' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HG3' ' CG2' ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.561 HG21 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.442 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.442 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.525 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE1' HG21 ' A' ' 52' ' ' THR . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.403 ' C ' HG22 ' A' ' 85' ' ' VAL . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp -83.94 -55.36 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 m -53.45 152.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.89 147.46 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.99 58.9 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.0 t -59.1 -50.34 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -58.65 132.38 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -88.81 104.72 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -89.01 -58.27 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 117.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -169.96 117.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -61.21 122.6 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.86 -79.15 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.53 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm -90.58 155.1 19.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' OD1' ' A' ' 31' ' ' ASP . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.63 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 60' ' ' TYR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.525 HG21 ' CE2' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.453 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.453 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.441 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.464 ' O ' ' CG2' ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.525 ' CE2' HG21 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.11 -56.19 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.9 t -83.31 101.05 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.2 152.4 32.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.64 24.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m 60.3 41.41 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.9 p -82.96 170.83 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -47.24 -55.69 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.35 40.77 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 72.73 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -78.42 -43.6 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -86.46 111.22 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -74.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.47 24.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 80.4 mmm -44.04 136.92 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.539 HG21 ' CE2' ' A' ' 105' ' ' PHE . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.572 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.435 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.467 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.565 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.409 ' ND2' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD13 ' ND2' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 52' ' ' THR . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' A' ' 25' ' ' ILE . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.404 ' C ' HG23 ' A' ' 85' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.461 ' HB ' ' CG ' ' A' ' 12' ' ' PRO . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.458 HG21 ' N ' ' A' ' 89' ' ' LYS . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' N ' HG21 ' A' ' 88' ' ' THR . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CE2' HG21 ' A' ' 19' ' ' ILE . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.572 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -53.58 109.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -144.81 126.87 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.31 85.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -40.51 5.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.4 t -142.85 117.94 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 42.28 41.8 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -130.9 169.1 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 143.09 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 120.98 9.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -150.72 145.59 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -83.36 -74.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.49 55.88 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.477 ' O ' ' CB ' ' A' ' 94' ' ' SER . 97.8 mtp -54.33 126.32 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.437 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' CD1' ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.492 HG23 ' CE2' ' A' ' 81' ' ' TYR . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.492 ' CE2' HG23 ' A' ' 79' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.532 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.418 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' SER . 2.7 tt -83.0 84.56 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' LEU . 71.4 m 35.37 38.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.95 150.45 17.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.56 23.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -83.91 112.93 20.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 t -103.25 -50.0 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -153.75 133.33 12.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -44.52 149.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 155.74 52.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -105.03 139.78 39.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -79.63 120.82 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.02 -85.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 166.17 28.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm -59.47 150.95 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' CD2' HD21 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.527 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.536 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.56 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.566 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD21 ' CD2' ' A' ' 22' ' ' HIS . 38.5 tp -91.38 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 m -89.83 97.81 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.85 159.02 10.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 155.66 65.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.6 p -148.36 162.09 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -64.31 108.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -151.78 146.38 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -138.51 161.85 36.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.0 176.12 43.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -94.86 80.02 3.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.94 157.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.78 67.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.465 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.4 mtm -43.27 134.54 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.522 HG23 ' CE2' ' A' ' 105' ' ' PHE . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.408 ' C ' HG13 ' A' ' 25' ' ' ILE . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' HG13 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD23 ' NH2' ' A' ' 44' ' ' ARG . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 37' ' ' HIS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' NH2' HD23 ' A' ' 34' ' ' LEU . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.56 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' N ' ' OG1' ' A' ' 67' ' ' THR . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 81' ' ' TYR . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.439 ' CE2' HG21 ' A' ' 79' ' ' THR . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.504 HG13 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.427 ' N ' HG21 ' A' ' 87' ' ' VAL . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CE2' HG23 ' A' ' 19' ' ' ILE . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.417 ' C ' HD21 ' A' ' 107' ' ' LEU . 2.4 tt -87.51 -63.57 1.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.7 m -134.53 142.72 47.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.95 -166.76 39.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.55 21.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -143.97 161.13 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.3 p -112.52 173.67 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -108.21 97.79 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -47.62 -49.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.64 -70.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -100.17 155.61 17.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.36 141.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 -99.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 134.63 28.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm -43.55 152.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 27' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' CD1' ' A' ' 107' ' ' LEU . 56.4 p-80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.41 HD13 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' CD1' ' HB1' ' A' ' 17' ' ' ALA . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG23 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.554 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.529 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.503 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.469 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.489 HG22 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CZ ' ' HB ' ' A' ' 52' ' ' THR . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.42 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.489 ' CD2' HG22 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.495 HG23 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.56 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.408 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' MET . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 59.8 m80 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.41 ' CG2' HD13 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -98.2 -44.85 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -50.34 -52.61 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.27 176.67 15.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 m -77.75 -57.7 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m -105.43 155.18 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -123.16 125.79 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -72.21 -58.1 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.39 44.07 23.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -143.49 166.32 25.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -74.23 -49.71 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 88.31 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -178.08 2.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.427 ' CE ' HG21 ' A' ' 87' ' ' VAL . 82.1 mtp -77.78 144.1 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 HG22 ' CE2' ' A' ' 105' ' ' PHE . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 25' ' ' ILE . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 ' N ' HG22 ' A' ' 24' ' ' THR . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' OD1' ' NE2' ' A' ' 38' ' ' GLN . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.431 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' OD1' ' A' ' 31' ' ' ASP . 3.0 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.501 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.535 HG21 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.457 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASN . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.501 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.427 ' N ' ' OG1' ' A' ' 67' ' ' THR . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.438 ' CD1' HG22 ' A' ' 72' ' ' VAL . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.438 HG22 ' CD1' ' A' ' 70' ' ' TYR . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.535 ' CE1' HG21 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.425 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG21 ' CE ' ' A' ' 9' ' ' MET . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CE2' HG22 ' A' ' 19' ' ' ILE . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.0 tp -128.54 -62.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -55.61 174.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.24 -153.21 5.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.51 30.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.5 p -169.64 161.31 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -80.7 119.38 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -157.46 147.93 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -161.38 141.07 10.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.42 60.59 1.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -149.57 114.5 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -39.53 123.71 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.45 -158.49 11.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.95 7.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 50.6 mtp -43.09 154.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.537 HG23 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.449 HD13 ' CG2' ' A' ' 104' ' ' THR . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CE3' HG23 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.461 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.465 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tp60 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.484 HG21 ' CZ ' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.511 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.465 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CZ ' HG21 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.559 HG23 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 88' ' ' THR . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.466 ' N ' HG23 ' A' ' 87' ' ' VAL . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 88' ' ' THR . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.449 ' CG2' HD13 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' CE2' HG23 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp -108.62 90.55 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 t 61.61 37.52 16.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.59 174.96 48.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.17 20.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -131.0 126.29 35.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -131.06 -60.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -156.5 161.17 40.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -64.46 -47.14 80.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.43 130.78 2.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -139.96 151.09 45.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -73.4 172.67 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 141.41 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp -42.11 159.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.416 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 24' ' ' THR . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.491 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' CD1' HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.666 ' NH1' ' CD2' ' A' ' 46' ' ' TYR . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.561 HG23 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.445 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.432 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 80' ' ' LEU . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE1' HG23 ' A' ' 52' ' ' THR . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.491 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 89' ' ' LYS . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 88' ' ' THR . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 89' ' ' LYS . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.431 ' CD2' HD12 ' A' ' 80' ' ' LEU . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.67 -54.21 45.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 t -102.01 131.66 48.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.59 -71.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -104.2 87.17 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -61.52 101.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 p -45.31 138.1 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -75.8 131.3 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.34 175.27 15.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -70.21 -63.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -111.48 114.74 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 145.81 15.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm -43.91 142.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.568 ' CG2' ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.441 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.436 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.441 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.413 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.451 ' CG2' ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE2' ' CG2' ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp -108.98 -54.01 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 t -93.49 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.62 -94.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.3 32.58 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -159.0 121.14 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.4 m -56.39 135.73 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -83.13 138.23 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -152.73 141.52 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.96 157.8 23.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -107.54 82.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -162.86 141.61 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.96 66.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.434 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -174.76 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp -64.55 149.0 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB3' ' CD1' ' A' ' 27' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.468 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 ' CD1' ' HB3' ' A' ' 17' ' ' ALA . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.564 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.557 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.504 HG23 ' CZ ' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.462 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.557 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.434 HG23 ' CE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CZ ' HG23 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' HG23 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.496 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG23 ' CE ' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.571 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt -75.71 89.11 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.2 129.51 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.65 -116.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -81.98 58.79 4.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -44.65 -57.41 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -144.42 151.55 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -136.29 132.71 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.58 65.03 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -161.14 171.88 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -97.83 -61.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 71.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' CB ' ' O ' ' A' ' 93' ' ' SER . 53.7 Cg_endo -69.78 169.2 19.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.636 2.224 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm -76.73 173.41 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' CD2' ' HA ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.408 ' C ' HG13 ' A' ' 25' ' ' ILE . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.421 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CE3' HG23 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.451 HG23 ' CE2' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.459 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' N ' ' OD2' ' A' ' 23' ' ' ASP . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' N ' ' CG2' ' A' ' 79' ' ' THR . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.458 ' CE1' ' CG2' ' A' ' 79' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG23 ' CE3' ' A' ' 29' ' ' TRP . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 89' ' ' LYS . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' N ' HG21 ' A' ' 88' ' ' THR . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 108' ' ' SER . 18.4 tp -106.54 -49.67 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' LEU . 94.2 p -37.04 -53.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.98 161.19 12.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -125.41 -47.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 m -121.38 85.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 87' ' ' VAL . 96.5 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.615 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' ILE . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 26' ' ' ARG . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 69' ' ' SER . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.884 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.593 HD21 HG12 ' A' ' 40' ' ' ILE . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 tp-100 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.593 HG12 HD21 ' A' ' 34' ' ' LEU . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.691 ' HA ' HG22 ' A' ' 66' ' ' THR . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 HG22 ' A' ' 85' ' ' VAL . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.447 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 45' ' ' TYR . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' A' ' 30' ' ' ALA . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.727 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.759 ' CE2' HG22 ' A' ' 72' ' ' VAL . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 25' ' ' ILE . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG22 ' CE2' ' A' ' 70' ' ' TYR . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.646 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.884 HG11 ' CE2' ' A' ' 29' ' ' TRP . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 90' ' ' GLY . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.779 ' H ' HG22 ' A' ' 88' ' ' THR . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.615 ' CG2' HD11 ' A' ' 25' ' ' ILE . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 107' ' ' LEU . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG3' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 67' ' ' THR . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 85' ' ' VAL . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 38' ' ' GLN . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.815 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' HG21 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.72 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' ARG . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 88' ' ' THR . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.611 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 24' ' ' THR . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CD2' HD22 ' A' ' 107' ' ' LEU . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 20' ' ' LEU . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.524 ' HG3' HD11 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 66' ' ' THR . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 63' ' ' ALA . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' THR . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 45' ' ' TYR . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' SER . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 38' ' ' GLN . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 81' ' ' TYR . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.672 ' N ' HD12 ' A' ' 80' ' ' LEU . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 90' ' ' GLY . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 88' ' ' THR . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.2 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.0 mmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.741 ' CE2' HG11 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 31' ' ' ASP . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HD11 ' HG ' ' A' ' 68' ' ' LEU . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.517 ' CG ' HD23 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 6.8 p-10 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' HG23 ' A' ' 99' ' ' THR . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.478 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.951 ' O ' HG23 ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.556 HG23 ' HG2' ' A' ' 82' ' ' GLU . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.504 ' CG2' HD11 ' A' ' 25' ' ' ILE . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 ' OG ' ' A' ' 97' ' ' SER . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 20' ' ' LEU . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.836 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.817 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.674 HD12 ' OD1' ' A' ' 31' ' ' ASP . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.482 HH21 HD21 ' A' ' 34' ' ' LEU . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.777 ' HA ' HG22 ' A' ' 66' ' ' THR . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' A' ' 61' ' ' LYS . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HD3' ' CZ2' ' A' ' 50' ' ' TRP . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 45' ' ' TYR . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD21 ' CG ' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' A' ' 83' ' ' PHE . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 4.9 p-10 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 52' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HE1' HG21 ' A' ' 72' ' ' VAL . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.514 ' OG ' HG21 ' A' ' 15' ' ' VAL . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.497 ' C ' HD13 ' A' ' 20' ' ' LEU . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.48 ' ND1' HD22 ' A' ' 107' ' ' LEU . 8.4 p80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 HD13 ' A' ' 75' ' ' LEU . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HA ' HD12 ' A' ' 71' ' ' LEU . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 41' ' ' THR . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.871 HD13 HH21 ' A' ' 44' ' ' ARG . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' ' 39' ' ' LYS . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.871 HH21 HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.417 HG22 ' CE1' ' A' ' 81' ' ' TYR . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' HH2' ' A' ' 50' ' ' TRP . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 45' ' ' TYR . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.587 ' CE2' HG22 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' ARG . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 25' ' ' ILE . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 81' ' ' TYR . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.703 ' N ' HD13 ' A' ' 80' ' ' LEU . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.431 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.608 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 92' ' ' ARG . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 88' ' ' THR . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.629 HG23 ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.48 HD22 ' ND1' ' A' ' 22' ' ' HIS . 41.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.553 ' HE1' HG22 ' A' ' 87' ' ' VAL . 66.1 mtp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.563 HG23 HD21 ' A' ' 71' ' ' LEU . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 104' ' ' THR . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 67' ' ' THR . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' HA ' HG22 ' A' ' 66' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.625 HG22 ' HA ' ' A' ' 45' ' ' TYR . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 30' ' ' ALA . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 HG23 ' A' ' 24' ' ' THR . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 9' ' ' MET . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 HD11 ' A' ' 25' ' ' ILE . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 24' ' ' THR . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 20' ' ' LEU . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' LEU . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 68' ' ' LEU . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 8.9 p-80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' C ' ' A' ' 38' ' ' GLN . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.704 HG23 ' NE ' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.704 ' NE ' HG23 ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB2' HG22 ' A' ' 66' ' ' THR . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HD3' ' CD2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 45' ' ' TYR . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 69' ' ' SER . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 34' ' ' LEU . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' THR . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' N ' HD13 ' A' ' 80' ' ' LEU . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CG ' ' HB ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.59 ' C ' HD13 ' A' ' 20' ' ' LEU . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 75' ' ' LEU . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.669 ' HB3' HD12 ' A' ' 34' ' ' LEU . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 31' ' ' ASP . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.7 HG21 HH21 ' A' ' 44' ' ' ARG . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.7 HH21 HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 85' ' ' VAL . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' HG22 ' A' ' 58' ' ' THR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 51' ' ' LYS . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 25' ' ' ILE . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CZ ' HG22 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 48' ' ' VAL . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.535 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.483 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 80.4 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG21 ' OG ' ' A' ' 97' ' ' SER . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 24' ' ' THR . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.747 HG22 HD12 ' A' ' 20' ' ' LEU . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 17' ' ' ALA . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 85' ' ' VAL . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 40' ' ' ILE . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.681 ' HA ' HG22 ' A' ' 66' ' ' THR . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 84' ' ' SER . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.486 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.747 ' CB ' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 53' ' ' ASN . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 45' ' ' TYR . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 25' ' ' ILE . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' CE2' ' A' ' 70' ' ' TYR . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 ' CB ' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 80' ' ' LEU . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' ARG . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.483 ' HG3' ' HE1' ' A' ' 9' ' ' MET . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 88' ' ' THR . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.516 ' CE ' HG22 ' A' ' 87' ' ' VAL . 97.8 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 100' ' ' ALA . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 24' ' ' THR . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 20' ' ' LEU . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 HG23 ' A' ' 104' ' ' THR . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 69' ' ' SER . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 41' ' ' THR . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' HD2' ' A' ' 70' ' ' TYR . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.828 HG22 ' CE1' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.496 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.625 HG22 ' CE2' ' A' ' 70' ' ' TYR . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 HD12 ' A' ' 71' ' ' LEU . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.828 ' CE1' HG22 ' A' ' 52' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 90' ' ' GLY . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.651 ' H ' HG22 ' A' ' 88' ' ' THR . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.628 HG23 HD11 ' A' ' 25' ' ' ILE . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 100' ' ' ALA . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 105' ' ' PHE . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 24' ' ' THR . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CE1' HD13 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.494 HG22 HD12 ' A' ' 20' ' ' LEU . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' HD22 ' A' ' 71' ' ' LEU . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' THR . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 70' ' ' TYR . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.607 HG23 ' HA ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HA ' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 51' ' ' LYS . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 67' ' ' THR . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HG21 ' A' ' 48' ' ' VAL . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 25' ' ' ILE . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 101' ' ' HIS . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.656 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.572 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 90' ' ' GLY . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 88' ' ' THR . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.708 ' HB3' HD11 ' A' ' 80' ' ' LEU . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 19' ' ' ILE . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.653 HD13 ' CE1' ' A' ' 22' ' ' HIS . 38.5 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.6 ' HE3' HG13 ' A' ' 87' ' ' VAL . 16.4 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 24' ' ' THR . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 HD12 ' A' ' 20' ' ' LEU . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' HD22 ' A' ' 71' ' ' LEU . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE2' HG11 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' HG ' ' A' ' 68' ' ' LEU . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 84' ' ' SER . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 40' ' ' ILE . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' CD1' HD12 ' A' ' 25' ' ' ILE . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.638 ' N ' HD13 ' A' ' 80' ' ' LEU . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.6 HG13 ' HE3' ' A' ' 9' ' ' MET . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 92' ' ' ARG . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 88' ' ' THR . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 30' ' ' ALA . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' A' ' 25' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' CE2' ' A' ' 105' ' ' PHE . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.752 ' ND1' HD11 ' A' ' 107' ' ' LEU . 19.5 p80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.46 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' HD12 ' A' ' 34' ' ' LEU . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 31' ' ' ASP . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.852 ' HG3' HD12 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.68 ' N ' HD13 ' A' ' 80' ' ' LEU . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.786 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.46 HG21 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.564 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.584 HG12 ' OG ' ' A' ' 94' ' ' SER . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.416 HG23 ' OG ' ' A' ' 93' ' ' SER . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.418 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.584 ' OG ' HG12 ' A' ' 87' ' ' VAL . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 49' ' ' ARG . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.786 HG22 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 19' ' ' ILE . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.852 HD12 ' HG3' ' A' ' 77' ' ' PRO . 11.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 94' ' ' SER . 82.1 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 75' ' ' LEU . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' OD1' HD21 ' A' ' 68' ' ' LEU . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' OD1' ' A' ' 31' ' ' ASP . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 HG13 ' A' ' 85' ' ' VAL . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.468 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 58' ' ' THR . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.759 HG23 ' HG2' ' A' ' 55' ' ' PRO . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' THR . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' TYR . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 69' ' ' SER . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 ' OD1' ' A' ' 31' ' ' ASP . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 67' ' ' THR . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 25' ' ' ILE . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 48' ' ' VAL . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.471 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 22' ' ' HIS . 21.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.478 ' HE1' HG22 ' A' ' 87' ' ' VAL . 50.6 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.328 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ALA . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 29' ' ' TRP . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.408 HG22 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 71' ' ' LEU . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 75' ' ' LEU . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD11 ' NH2' ' A' ' 44' ' ' ARG . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.487 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.2 tp-100 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 40' ' ' ILE . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.588 ' NH2' HD11 ' A' ' 34' ' ' LEU . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.589 HG22 ' CE2' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 24' ' ' THR . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' HE1' ' A' ' 9' ' ' MET . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 92' ' ' ARG . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 88' ' ' THR . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.433 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 75' ' ' LEU . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' HD13 ' A' ' 71' ' ' LEU . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 41' ' ' THR . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.95 HD13 HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 39' ' ' LYS . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.95 HH21 HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 66' ' ' THR . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 85' ' ' VAL . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 45' ' ' TYR . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 26' ' ' ARG . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.727 ' N ' HD13 ' A' ' 80' ' ' LEU . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' ARG . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.484 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' THR . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 25' ' ' ILE . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG21 ' OG ' ' A' ' 97' ' ' SER . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.826 HG22 ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD11 HG23 ' A' ' 104' ' ' THR . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.472 HH11 HD12 ' A' ' 71' ' ' LEU . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 68' ' ' LEU . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 84' ' ' SER . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 80' ' ' LEU . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.509 ' O ' HG23 ' A' ' 58' ' ' THR . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' PRO . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 45' ' ' TYR . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.773 HG23 ' H ' ' A' ' 69' ' ' SER . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' LEU . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.773 ' H ' HG23 ' A' ' 67' ' ' THR . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD12 HH11 ' A' ' 26' ' ' ARG . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 99' ' ' THR . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' HG3' ' A' ' 44' ' ' ARG . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.427 ' OG ' HG21 ' A' ' 15' ' ' VAL . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.671 HG23 HD11 ' A' ' 25' ' ' ILE . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.826 ' CE2' HG22 ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 24' ' ' THR . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.472 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 20' ' ' LEU . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 85' ' ' VAL . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.404 ' OH ' ' HB1' ' A' ' 63' ' ' ALA . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.685 HG11 ' HE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.685 ' HE2' HG11 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.603 HG21 ' CE3' ' A' ' 29' ' ' TRP . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' HE1' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' HD2' ' A' ' 49' ' ' ARG . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 82' ' ' GLU . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.414 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' C ' HD13 ' A' ' 20' ' ' LEU . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.547 HG22 HD23 ' A' ' 20' ' ' LEU . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.787 HD12 ' CD1' ' A' ' 75' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 69' ' ' SER . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE3' HG21 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 HG23 ' HE ' ' A' ' 44' ' ' ARG . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 85' ' ' VAL . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.628 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.549 ' CG ' HD23 ' A' ' 80' ' ' LEU . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 53' ' ' ASN . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 45' ' ' TYR . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.609 ' HB3' HG22 ' A' ' 28' ' ' THR . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.787 ' CD1' HD12 ' A' ' 25' ' ' ILE . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 53' ' ' ASN . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CZ ' HG22 ' A' ' 52' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 48' ' ' VAL . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 48' ' ' VAL . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HB3' HD11 ' A' ' 80' ' ' LEU . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 18.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.32 124.4 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -65.78 -45.91 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 163.08 -35.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.7 m -37.01 -60.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -60.33 -179.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.71 60.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.4 31.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 87' ' ' VAL . 96.5 mtp -54.51 149.57 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.615 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' ILE . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 26' ' ' ARG . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 69' ' ' SER . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.884 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.593 HD21 HG12 ' A' ' 40' ' ' ILE . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 1.3 tp-100 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.593 HG12 HD21 ' A' ' 34' ' ' LEU . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.691 ' HA ' HG22 ' A' ' 66' ' ' THR . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 HG22 ' A' ' 85' ' ' VAL . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.447 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 45' ' ' TYR . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' A' ' 30' ' ' ALA . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.727 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.759 ' CE2' HG22 ' A' ' 72' ' ' VAL . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 25' ' ' ILE . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG22 ' CE2' ' A' ' 70' ' ' TYR . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.646 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.884 HG11 ' CE2' ' A' ' 29' ' ' TRP . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 90' ' ' GLY . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.779 ' H ' HG22 ' A' ' 88' ' ' THR . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.615 ' CG2' HD11 ' A' ' 25' ' ' ILE . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp -97.98 -59.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -37.73 -54.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.65 164.75 29.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 171.02 15.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.0 t -103.72 152.06 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.5 p -54.45 123.83 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -96.32 175.43 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -94.09 -51.22 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.97 -166.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -97.49 -179.13 4.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -100.82 177.56 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.63 43.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm -53.7 167.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 107' ' ' LEU . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG3' HD11 ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 67' ' ' THR . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 85' ' ' VAL . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 38' ' ' GLN . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.815 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' HG21 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.72 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' ARG . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 88' ' ' THR . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.611 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.5 tp -102.68 91.52 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 123.91 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.69 -91.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 53.9 Cg_endo -69.72 -5.63 16.64 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' PRO . 89.7 p -36.15 118.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -72.34 164.15 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -122.32 44.0 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.8 t -81.31 -50.17 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.92 56.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -118.35 137.35 53.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 p -96.35 170.07 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -92.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -177.12 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp -70.18 153.38 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.452 ' SD ' ' N ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 24' ' ' THR . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CD2' HD22 ' A' ' 107' ' ' LEU . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 20' ' ' LEU . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.524 ' HG3' HD11 ' A' ' 68' ' ' LEU . 1.0 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 66' ' ' THR . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 63' ' ' ALA . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' THR . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 45' ' ' TYR . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' SER . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 38' ' ' GLN . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 81' ' ' TYR . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.672 ' N ' HD12 ' A' ' 80' ' ' LEU . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 90' ' ' GLY . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 88' ' ' THR . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.2 tp -97.89 -54.49 3.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . 2.7 t -37.48 149.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.54 -159.16 23.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -118.68 175.28 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.9 m -80.52 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -113.88 84.7 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -132.8 155.98 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.61 -51.32 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -97.17 176.57 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -39.53 159.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.59 -161.09 28.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.76 67.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.0 mmm -50.34 139.05 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.741 ' CE2' HG11 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 31' ' ' ASP . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HD11 ' HG ' ' A' ' 68' ' ' LEU . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.517 ' CG ' HD23 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 6.8 p-10 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' HG23 ' A' ' 99' ' ' THR . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.478 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.951 ' O ' HG23 ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.556 HG23 ' HG2' ' A' ' 82' ' ' GLU . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.504 ' CG2' HD11 ' A' ' 25' ' ' ILE . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.5 OUTLIER -49.84 -62.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 76.0 p -87.68 -53.88 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.73 -152.16 17.14 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 p -80.35 -175.56 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.6 p -159.24 107.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -121.2 154.29 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -116.14 166.22 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 44.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 154.37 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -110.66 -55.03 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.92 64.44 0.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.69 18.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm -97.36 166.19 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 ' OG ' ' A' ' 97' ' ' SER . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 20' ' ' LEU . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.836 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.817 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.674 HD12 ' OD1' ' A' ' 31' ' ' ASP . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.482 HH21 HD21 ' A' ' 34' ' ' LEU . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.777 ' HA ' HG22 ' A' ' 66' ' ' THR . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' A' ' 61' ' ' LYS . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HD3' ' CZ2' ' A' ' 50' ' ' TRP . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 45' ' ' TYR . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD21 ' CG ' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' A' ' 83' ' ' PHE . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 4.9 p-10 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 52' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HE1' HG21 ' A' ' 72' ' ' VAL . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.514 ' OG ' HG21 ' A' ' 15' ' ' VAL . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.1 tp -97.99 82.87 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -140.83 168.79 18.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.14 -93.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -44.85 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -79.06 53.77 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -53.45 -44.49 68.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -105.26 163.49 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -121.21 -55.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 148.91 36.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.57 61.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -146.03 144.99 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.09 87.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 171.46 14.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp -46.15 134.71 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.497 ' C ' HD13 ' A' ' 20' ' ' LEU . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.48 ' ND1' HD22 ' A' ' 107' ' ' LEU . 8.4 p80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 HD13 ' A' ' 75' ' ' LEU . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HA ' HD12 ' A' ' 71' ' ' LEU . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 41' ' ' THR . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.871 HD13 HH21 ' A' ' 44' ' ' ARG . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' ' 39' ' ' LYS . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.871 HH21 HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.417 HG22 ' CE1' ' A' ' 81' ' ' TYR . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' HH2' ' A' ' 50' ' ' TRP . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 45' ' ' TYR . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.587 ' CE2' HG22 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' ARG . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 25' ' ' ILE . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 81' ' ' TYR . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.703 ' N ' HD13 ' A' ' 80' ' ' LEU . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.431 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.608 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 92' ' ' ARG . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 88' ' ' THR . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.629 HG23 ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.48 HD22 ' ND1' ' A' ' 22' ' ' HIS . 41.3 tp -102.81 -48.49 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.2 t -105.39 91.67 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.48 72.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.57 33.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.0 p -146.12 136.82 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -126.8 116.09 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -172.94 138.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -162.58 170.79 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.5 131.45 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.19 39.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -114.21 -44.74 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.02 68.76 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.553 ' HE1' HG22 ' A' ' 87' ' ' VAL . 66.1 mtp -88.33 141.32 28.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.563 HG23 HD21 ' A' ' 71' ' ' LEU . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 104' ' ' THR . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 67' ' ' THR . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' HA ' HG22 ' A' ' 66' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.625 HG22 ' HA ' ' A' ' 45' ' ' TYR . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 30' ' ' ALA . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 HG23 ' A' ' 24' ' ' THR . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 9' ' ' MET . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 HD11 ' A' ' 25' ' ' ILE . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt -62.4 127.16 30.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -43.26 -72.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.87 149.71 6.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.22 4.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.5 p -39.19 120.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.2 t -94.96 -36.13 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 p -158.48 144.49 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -135.99 152.43 50.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 136.61 8.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -109.36 78.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -90.77 109.15 20.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.93 -74.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.7 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm -52.65 141.88 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 24' ' ' THR . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 20' ' ' LEU . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' LEU . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 68' ' ' LEU . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 8.9 p-80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' C ' ' A' ' 38' ' ' GLN . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.704 HG23 ' NE ' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.704 ' NE ' HG23 ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB2' HG22 ' A' ' 66' ' ' THR . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HD3' ' CD2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 45' ' ' TYR . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 69' ' ' SER . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 34' ' ' LEU . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' THR . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' N ' HD13 ' A' ' 80' ' ' LEU . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp -83.94 -55.36 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 m -53.45 152.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.89 147.46 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.99 58.9 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.0 t -59.1 -50.34 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -58.65 132.38 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -88.81 104.72 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -89.01 -58.27 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 117.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -169.96 117.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -61.21 122.6 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.86 -79.15 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.53 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm -90.58 155.1 19.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CG ' ' HB ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.59 ' C ' HD13 ' A' ' 20' ' ' LEU . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 75' ' ' LEU . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.669 ' HB3' HD12 ' A' ' 34' ' ' LEU . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 31' ' ' ASP . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.7 HG21 HH21 ' A' ' 44' ' ' ARG . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.7 HH21 HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 85' ' ' VAL . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' HG22 ' A' ' 58' ' ' THR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 51' ' ' LYS . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 25' ' ' ILE . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CZ ' HG22 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 48' ' ' VAL . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.535 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.11 -56.19 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.9 t -83.31 101.05 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.2 152.4 32.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.64 24.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m 60.3 41.41 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.9 p -82.96 170.83 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -47.24 -55.69 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.35 40.77 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 72.73 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -78.42 -43.6 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -86.46 111.22 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -74.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.47 24.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.483 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 80.4 mmm -44.04 136.92 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG21 ' OG ' ' A' ' 97' ' ' SER . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 24' ' ' THR . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.747 HG22 HD12 ' A' ' 20' ' ' LEU . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 17' ' ' ALA . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 85' ' ' VAL . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 40' ' ' ILE . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.681 ' HA ' HG22 ' A' ' 66' ' ' THR . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 84' ' ' SER . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.486 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.747 ' CB ' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 53' ' ' ASN . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 45' ' ' TYR . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 25' ' ' ILE . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' CE2' ' A' ' 70' ' ' TYR . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 ' CB ' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 80' ' ' LEU . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' ARG . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.483 ' HG3' ' HE1' ' A' ' 9' ' ' MET . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 88' ' ' THR . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -53.58 109.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -144.81 126.87 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.31 85.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -40.51 5.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.4 t -142.85 117.94 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 42.28 41.8 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -130.9 169.1 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 143.09 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 120.98 9.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -150.72 145.59 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -83.36 -74.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.49 55.88 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.516 ' CE ' HG22 ' A' ' 87' ' ' VAL . 97.8 mtp -54.33 126.32 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 100' ' ' ALA . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 24' ' ' THR . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 20' ' ' LEU . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 HG23 ' A' ' 104' ' ' THR . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 69' ' ' SER . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 41' ' ' THR . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' HD2' ' A' ' 70' ' ' TYR . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.828 HG22 ' CE1' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.496 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.625 HG22 ' CE2' ' A' ' 70' ' ' TYR . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 HD12 ' A' ' 71' ' ' LEU . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.828 ' CE1' HG22 ' A' ' 52' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 90' ' ' GLY . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.651 ' H ' HG22 ' A' ' 88' ' ' THR . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.628 HG23 HD11 ' A' ' 25' ' ' ILE . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' SER . 2.7 tt -83.0 84.56 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' LEU . 71.4 m 35.37 38.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.95 150.45 17.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.56 23.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -83.91 112.93 20.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 t -103.25 -50.0 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -153.75 133.33 12.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -44.52 149.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 155.74 52.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -105.03 139.78 39.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -79.63 120.82 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.02 -85.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 166.17 28.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm -59.47 150.95 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 100' ' ' ALA . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 105' ' ' PHE . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 24' ' ' THR . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CE1' HD13 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.494 HG22 HD12 ' A' ' 20' ' ' LEU . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' HD22 ' A' ' 71' ' ' LEU . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' THR . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 70' ' ' TYR . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.607 HG23 ' HA ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HA ' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 51' ' ' LYS . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 67' ' ' THR . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HG21 ' A' ' 48' ' ' VAL . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 25' ' ' ILE . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 101' ' ' HIS . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.656 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.572 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 90' ' ' GLY . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 88' ' ' THR . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.708 ' HB3' HD11 ' A' ' 80' ' ' LEU . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 19' ' ' ILE . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.653 HD13 ' CE1' ' A' ' 22' ' ' HIS . 38.5 tp -91.38 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 m -89.83 97.81 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.85 159.02 10.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 155.66 65.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.6 p -148.36 162.09 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -64.31 108.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -151.78 146.38 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -138.51 161.85 36.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.0 176.12 43.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -94.86 80.02 3.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.94 157.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.78 67.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.6 ' HE3' HG13 ' A' ' 87' ' ' VAL . 16.4 mtm -43.27 134.54 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 24' ' ' THR . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 HD12 ' A' ' 20' ' ' LEU . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' HD22 ' A' ' 71' ' ' LEU . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE2' HG11 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' HG ' ' A' ' 68' ' ' LEU . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 84' ' ' SER . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 40' ' ' ILE . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' CD1' HD12 ' A' ' 25' ' ' ILE . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.638 ' N ' HD13 ' A' ' 80' ' ' LEU . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.6 HG13 ' HE3' ' A' ' 9' ' ' MET . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 92' ' ' ARG . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 88' ' ' THR . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -87.51 -63.57 1.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.7 m -134.53 142.72 47.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.95 -166.76 39.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.55 21.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -143.97 161.13 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.3 p -112.52 173.67 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -108.21 97.79 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -47.62 -49.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.64 -70.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -100.17 155.61 17.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.36 141.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 -99.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 134.63 28.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm -43.55 152.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 30' ' ' ALA . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' A' ' 25' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' CE2' ' A' ' 105' ' ' PHE . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.752 ' ND1' HD11 ' A' ' 107' ' ' LEU . 19.5 p80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.46 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' HD12 ' A' ' 34' ' ' LEU . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 31' ' ' ASP . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.852 ' HG3' HD12 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.68 ' N ' HD13 ' A' ' 80' ' ' LEU . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.786 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG21 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.564 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.584 HG12 ' OG ' ' A' ' 94' ' ' SER . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.416 HG23 ' OG ' ' A' ' 93' ' ' SER . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.418 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.584 ' OG ' HG12 ' A' ' 87' ' ' VAL . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 49' ' ' ARG . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.786 HG22 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 19' ' ' ILE . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.852 HD12 ' HG3' ' A' ' 77' ' ' PRO . 11.4 mt -98.2 -44.85 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -50.34 -52.61 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.27 176.67 15.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 m -77.75 -57.7 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m -105.43 155.18 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -123.16 125.79 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -72.21 -58.1 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.39 44.07 23.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -143.49 166.32 25.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -74.23 -49.71 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 88.31 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -178.08 2.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 94' ' ' SER . 82.1 mtp -77.78 144.1 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 75' ' ' LEU . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' OD1' HD21 ' A' ' 68' ' ' LEU . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' OD1' ' A' ' 31' ' ' ASP . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 HG13 ' A' ' 85' ' ' VAL . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.468 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 58' ' ' THR . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.759 HG23 ' HG2' ' A' ' 55' ' ' PRO . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' THR . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' TYR . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 69' ' ' SER . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 ' OD1' ' A' ' 31' ' ' ASP . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 67' ' ' THR . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 25' ' ' ILE . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 48' ' ' VAL . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.471 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 22' ' ' HIS . 21.0 tp -128.54 -62.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -55.61 174.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.24 -153.21 5.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.51 30.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.5 p -169.64 161.31 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -80.7 119.38 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -157.46 147.93 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -161.38 141.07 10.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.42 60.59 1.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -149.57 114.5 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -39.53 123.71 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.45 -158.49 11.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.95 7.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.478 ' HE1' HG22 ' A' ' 87' ' ' VAL . 50.6 mtp -43.09 154.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ALA . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 29' ' ' TRP . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG22 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 71' ' ' LEU . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 75' ' ' LEU . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD11 ' NH2' ' A' ' 44' ' ' ARG . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.487 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.2 tp-100 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 40' ' ' ILE . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.588 ' NH2' HD11 ' A' ' 34' ' ' LEU . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.589 HG22 ' CE2' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 24' ' ' THR . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' HE1' ' A' ' 9' ' ' MET . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 92' ' ' ARG . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 88' ' ' THR . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp -108.62 90.55 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 t 61.61 37.52 16.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.59 174.96 48.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.17 20.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -131.0 126.29 35.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -131.06 -60.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -156.5 161.17 40.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -64.46 -47.14 80.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.43 130.78 2.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -139.96 151.09 45.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -73.4 172.67 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 141.41 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp -42.11 159.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.433 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 75' ' ' LEU . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' HD13 ' A' ' 71' ' ' LEU . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 41' ' ' THR . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.95 HD13 HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 39' ' ' LYS . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.95 HH21 HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 66' ' ' THR . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 85' ' ' VAL . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 45' ' ' TYR . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 26' ' ' ARG . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.727 ' N ' HD13 ' A' ' 80' ' ' LEU . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' ARG . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.484 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' THR . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 25' ' ' ILE . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.67 -54.21 45.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 t -102.01 131.66 48.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.59 -71.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -104.2 87.17 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -61.52 101.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 p -45.31 138.1 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -75.8 131.3 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.34 175.27 15.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -70.21 -63.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -111.48 114.74 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 145.81 15.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm -43.91 142.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG21 ' OG ' ' A' ' 97' ' ' SER . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.826 HG22 ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD11 HG23 ' A' ' 104' ' ' THR . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.472 HH11 HD12 ' A' ' 71' ' ' LEU . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 68' ' ' LEU . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 84' ' ' SER . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 80' ' ' LEU . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' O ' HG23 ' A' ' 58' ' ' THR . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' PRO . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 45' ' ' TYR . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.773 HG23 ' H ' ' A' ' 69' ' ' SER . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' LEU . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.773 ' H ' HG23 ' A' ' 67' ' ' THR . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD12 HH11 ' A' ' 26' ' ' ARG . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 99' ' ' THR . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' HG3' ' A' ' 44' ' ' ARG . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.427 ' OG ' HG21 ' A' ' 15' ' ' VAL . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.671 HG23 HD11 ' A' ' 25' ' ' ILE . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.826 ' CE2' HG22 ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp -108.98 -54.01 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 t -93.49 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.62 -94.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.3 32.58 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -159.0 121.14 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.4 m -56.39 135.73 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -83.13 138.23 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -152.73 141.52 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.96 157.8 23.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -107.54 82.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -162.86 141.61 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.96 66.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.434 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -174.76 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp -64.55 149.0 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 24' ' ' THR . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.472 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 20' ' ' LEU . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 85' ' ' VAL . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.404 ' OH ' ' HB1' ' A' ' 63' ' ' ALA . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.685 HG11 ' HE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.685 ' HE2' HG11 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.603 HG21 ' CE3' ' A' ' 29' ' ' TRP . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' HE1' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' HD2' ' A' ' 49' ' ' ARG . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 82' ' ' GLU . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.414 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt -75.71 89.11 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.2 129.51 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.65 -116.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -81.98 58.79 4.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -44.65 -57.41 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -144.42 151.55 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -136.29 132.71 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.58 65.03 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -161.14 171.88 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -97.83 -61.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 71.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' CB ' ' O ' ' A' ' 93' ' ' SER . 53.7 Cg_endo -69.78 169.2 19.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.636 2.224 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm -76.73 173.41 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' C ' HD13 ' A' ' 20' ' ' LEU . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.589 ' N ' HD22 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.547 HG22 HD23 ' A' ' 20' ' ' LEU . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.787 HD12 ' CD1' ' A' ' 75' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 69' ' ' SER . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE3' HG21 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 HG23 ' HE ' ' A' ' 44' ' ' ARG . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 85' ' ' VAL . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.628 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.549 ' CG ' HD23 ' A' ' 80' ' ' LEU . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 53' ' ' ASN . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 45' ' ' TYR . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.609 ' HB3' HG22 ' A' ' 28' ' ' THR . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.787 ' CD1' HD12 ' A' ' 25' ' ' ILE . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 53' ' ' ASN . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CZ ' HG22 ' A' ' 52' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 48' ' ' VAL . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 48' ' ' VAL . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HB3' HD11 ' A' ' 80' ' ' LEU . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 18.4 tp -106.54 -49.67 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' LEU . 94.2 p -37.04 -53.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.98 161.19 12.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -125.41 -47.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 m -121.38 85.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 87' ' ' VAL . 96.5 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.615 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' ILE . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 26' ' ' ARG . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 69' ' ' SER . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.884 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.593 HD21 HG12 ' A' ' 40' ' ' ILE . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 1.8 tp60 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.593 HG12 HD21 ' A' ' 34' ' ' LEU . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.691 ' HA ' HG22 ' A' ' 66' ' ' THR . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 HG22 ' A' ' 85' ' ' VAL . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.447 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 45' ' ' TYR . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' A' ' 30' ' ' ALA . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.727 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.759 ' CE2' HG22 ' A' ' 72' ' ' VAL . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 25' ' ' ILE . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.759 HG22 ' CE2' ' A' ' 70' ' ' TYR . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.646 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.884 HG11 ' CE2' ' A' ' 29' ' ' TRP . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 90' ' ' GLY . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.779 ' H ' HG22 ' A' ' 88' ' ' THR . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.615 ' CG2' HD11 ' A' ' 25' ' ' ILE . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.759 0.314 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 107' ' ' LEU . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG3' HD11 ' A' ' 68' ' ' LEU . 2.0 tp60 -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 67' ' ' THR . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 85' ' ' VAL . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 38' ' ' GLN . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.815 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' HG21 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.72 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' ARG . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 88' ' ' THR . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.611 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.5 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.452 ' N ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 24' ' ' THR . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CD2' HD22 ' A' ' 107' ' ' LEU . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 20' ' ' LEU . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.524 ' HG3' HD11 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 66' ' ' THR . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 63' ' ' ALA . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' THR . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 45' ' ' TYR . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' SER . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 38' ' ' GLN . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 81' ' ' TYR . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.672 ' N ' HD12 ' A' ' 80' ' ' LEU . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 90' ' ' GLY . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 88' ' ' THR . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.2 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.0 mmm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.786 0.327 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 22.2 p-80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.741 ' CE2' HG11 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 31' ' ' ASP . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HD11 ' HG ' ' A' ' 68' ' ' LEU . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.517 ' CG ' HD23 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 5.0 p30 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' HG23 ' A' ' 99' ' ' THR . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.478 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.951 ' O ' HG23 ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.556 HG23 ' HG2' ' A' ' 82' ' ' GLU . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.504 ' CG2' HD11 ' A' ' 25' ' ' ILE . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.831 0.348 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 ' OG ' ' A' ' 97' ' ' SER . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 56.2 p-80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 20' ' ' LEU . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.836 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.817 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.674 HD12 ' OD1' ' A' ' 31' ' ' ASP . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.482 HH21 HD21 ' A' ' 34' ' ' LEU . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.777 ' HA ' HG22 ' A' ' 66' ' ' THR . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' A' ' 61' ' ' LYS . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HD3' ' CZ2' ' A' ' 50' ' ' TRP . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 45' ' ' TYR . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.817 HD21 ' CG ' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' A' ' 83' ' ' PHE . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 52' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HE1' HG21 ' A' ' 72' ' ' VAL . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.514 ' OG ' HG21 ' A' ' 15' ' ' VAL . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 8.1 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.777 0.322 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.497 ' C ' HD13 ' A' ' 20' ' ' LEU . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.692 ' CD2' HD22 ' A' ' 107' ' ' LEU . 36.8 p-80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 HD13 ' A' ' 75' ' ' LEU . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HA ' HD12 ' A' ' 71' ' ' LEU . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 41' ' ' THR . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.871 HD13 HH21 ' A' ' 44' ' ' ARG . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' ' 39' ' ' LYS . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.871 HH21 HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.417 HG22 ' CE1' ' A' ' 81' ' ' TYR . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' HH2' ' A' ' 50' ' ' TRP . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 45' ' ' TYR . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.587 ' CE2' HG22 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' ARG . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 25' ' ' ILE . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 81' ' ' TYR . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.703 ' N ' HD13 ' A' ' 80' ' ' LEU . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.431 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.608 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 92' ' ' ARG . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 88' ' ' THR . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.629 HG23 ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.692 HD22 ' CD2' ' A' ' 22' ' ' HIS . 41.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.553 ' HE1' HG22 ' A' ' 87' ' ' VAL . 66.1 mtp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.322 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.563 HG23 HD21 ' A' ' 71' ' ' LEU . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 104' ' ' THR . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 67' ' ' THR . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' HA ' HG22 ' A' ' 66' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.625 HG22 ' HA ' ' A' ' 45' ' ' TYR . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 30' ' ' ALA . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 HG23 ' A' ' 24' ' ' THR . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 9' ' ' MET . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 HD11 ' A' ' 25' ' ' ILE . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.793 0.33 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 24' ' ' THR . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 20' ' ' LEU . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' LEU . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 68' ' ' LEU . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 13.2 p80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' C ' ' A' ' 38' ' ' GLN . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.704 HG23 ' NE ' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.704 ' NE ' HG23 ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB2' HG22 ' A' ' 66' ' ' THR . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HD3' ' CD2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 45' ' ' TYR . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 69' ' ' SER . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 34' ' ' LEU . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' THR . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.663 ' N ' HD13 ' A' ' 80' ' ' LEU . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' A' ' 101' ' ' HIS . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 60.5 m80 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.769 0.319 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CG ' ' HB ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.59 ' C ' HD13 ' A' ' 20' ' ' LEU . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 75' ' ' LEU . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.669 ' HB3' HD12 ' A' ' 34' ' ' LEU . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 31' ' ' ASP . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.7 HG21 HH21 ' A' ' 44' ' ' ARG . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.7 HH21 HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 85' ' ' VAL . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' HG22 ' A' ' 58' ' ' THR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 51' ' ' LYS . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 25' ' ' ILE . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.436 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CZ ' HG22 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 48' ' ' VAL . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.535 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.483 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 80.4 mmm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG21 ' OG ' ' A' ' 97' ' ' SER . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 24' ' ' THR . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.747 HG22 HD12 ' A' ' 20' ' ' LEU . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 17' ' ' ALA . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 85' ' ' VAL . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.527 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 40' ' ' ILE . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.681 ' HA ' HG22 ' A' ' 66' ' ' THR . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 84' ' ' SER . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.486 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.747 ' CB ' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 53' ' ' ASN . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 45' ' ' TYR . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 25' ' ' ILE . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' CE2' ' A' ' 70' ' ' TYR . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 ' CB ' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 80' ' ' LEU . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' ARG . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.483 ' HG3' ' HE1' ' A' ' 9' ' ' MET . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 88' ' ' THR . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.516 ' CE ' HG22 ' A' ' 87' ' ' VAL . 97.8 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 100' ' ' ALA . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 24' ' ' THR . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 20' ' ' LEU . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 HG23 ' A' ' 104' ' ' THR . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 69' ' ' SER . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 41' ' ' THR . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' HD2' ' A' ' 70' ' ' TYR . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.828 HG22 ' CE1' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.496 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.625 HG22 ' CE2' ' A' ' 70' ' ' TYR . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 HD12 ' A' ' 71' ' ' LEU . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.828 ' CE1' HG22 ' A' ' 52' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 90' ' ' GLY . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.651 ' H ' HG22 ' A' ' 88' ' ' THR . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.628 HG23 HD11 ' A' ' 25' ' ' ILE . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.7 tt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 100' ' ' ALA . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 105' ' ' PHE . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 24' ' ' THR . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CE1' HD13 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.494 HG22 HD12 ' A' ' 20' ' ' LEU . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' HD22 ' A' ' 71' ' ' LEU . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' THR . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 70' ' ' TYR . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.607 HG23 ' HA ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HA ' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 51' ' ' LYS . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 67' ' ' THR . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HG21 ' A' ' 48' ' ' VAL . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 25' ' ' ILE . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 101' ' ' HIS . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.656 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.572 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 90' ' ' GLY . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 88' ' ' THR . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.708 ' HB3' HD11 ' A' ' 80' ' ' LEU . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 19' ' ' ILE . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.653 HD13 ' CE1' ' A' ' 22' ' ' HIS . 38.5 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.6 ' HE3' HG13 ' A' ' 87' ' ' VAL . 16.4 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 24' ' ' THR . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 HD12 ' A' ' 20' ' ' LEU . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' HD22 ' A' ' 71' ' ' LEU . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE2' HG11 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' HG ' ' A' ' 68' ' ' LEU . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 84' ' ' SER . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 40' ' ' ILE . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' CD1' HD12 ' A' ' 25' ' ' ILE . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.638 ' N ' HD13 ' A' ' 80' ' ' LEU . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.6 HG13 ' HE3' ' A' ' 9' ' ' MET . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 92' ' ' ARG . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 88' ' ' THR . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 30' ' ' ALA . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' A' ' 25' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' CE2' ' A' ' 105' ' ' PHE . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.938 ' CD2' HD11 ' A' ' 107' ' ' LEU . 56.4 p-80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.46 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' HD12 ' A' ' 34' ' ' LEU . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 31' ' ' ASP . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.477 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.852 ' HG3' HD12 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.68 ' N ' HD13 ' A' ' 80' ' ' LEU . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.786 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.46 HG21 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.564 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.584 HG12 ' OG ' ' A' ' 94' ' ' SER . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.416 HG23 ' OG ' ' A' ' 93' ' ' SER . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.418 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.584 ' OG ' HG12 ' A' ' 87' ' ' VAL . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 49' ' ' ARG . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.786 HG22 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 59.8 m80 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 19' ' ' ILE . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 94' ' ' SER . 82.1 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.789 0.328 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 32' ' ' ASN . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 75' ' ' LEU . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' OD1' HD21 ' A' ' 68' ' ' LEU . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.422 HD21 HG21 ' A' ' 13' ' ' VAL . 2.3 m-80 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' OD1' ' A' ' 31' ' ' ASP . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' OD1' ' A' ' 31' ' ' ASP . 3.0 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 HG13 ' A' ' 85' ' ' VAL . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.468 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 58' ' ' THR . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.759 HG23 ' HG2' ' A' ' 55' ' ' PRO . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' THR . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' TYR . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 69' ' ' SER . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 ' OD1' ' A' ' 31' ' ' ASP . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 67' ' ' THR . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 25' ' ' ILE . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 48' ' ' VAL . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.471 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 22' ' ' HIS . 21.0 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.478 ' HE1' HG22 ' A' ' 87' ' ' VAL . 50.6 mtp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.79 0.328 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ALA . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 29' ' ' TRP . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.408 HG22 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 71' ' ' LEU . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 75' ' ' LEU . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD11 ' NH2' ' A' ' 44' ' ' ARG . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.487 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tp60 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 40' ' ' ILE . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.588 ' NH2' HD11 ' A' ' 34' ' ' LEU . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.589 HG22 ' CE2' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 24' ' ' THR . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' HE1' ' A' ' 9' ' ' MET . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 92' ' ' ARG . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 88' ' ' THR . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.797 0.332 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.433 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 75' ' ' LEU . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' HD13 ' A' ' 71' ' ' LEU . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 41' ' ' THR . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.95 HD13 HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 39' ' ' LYS . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.95 HH21 HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 66' ' ' THR . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 85' ' ' VAL . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 45' ' ' TYR . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 26' ' ' ARG . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.727 ' N ' HD13 ' A' ' 80' ' ' LEU . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.484 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' ARG . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.484 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' THR . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 25' ' ' ILE . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.807 0.337 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG21 ' OG ' ' A' ' 97' ' ' SER . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.826 HG22 ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.671 HD11 HG23 ' A' ' 104' ' ' THR . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.472 HH11 HD12 ' A' ' 71' ' ' LEU . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 68' ' ' LEU . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 84' ' ' SER . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 80' ' ' LEU . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.509 ' O ' HG23 ' A' ' 58' ' ' THR . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' PRO . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 45' ' ' TYR . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.773 HG23 ' H ' ' A' ' 69' ' ' SER . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' LEU . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.773 ' H ' HG23 ' A' ' 67' ' ' THR . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.472 HD12 HH11 ' A' ' 26' ' ' ARG . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 99' ' ' THR . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' HG3' ' A' ' 44' ' ' ARG . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.427 ' OG ' HG21 ' A' ' 15' ' ' VAL . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.671 HG23 HD11 ' A' ' 25' ' ' ILE . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.826 ' CE2' HG22 ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 24' ' ' THR . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.472 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 20' ' ' LEU . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 85' ' ' VAL . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.404 ' OH ' ' HB1' ' A' ' 63' ' ' ALA . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.685 HG11 ' HE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.685 ' HE2' HG11 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.603 HG21 ' CE3' ' A' ' 29' ' ' TRP . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' HE1' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' HD2' ' A' ' 49' ' ' ARG . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 82' ' ' GLU . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.414 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.766 0.317 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.508 ' C ' HD13 ' A' ' 20' ' ' LEU . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.547 HG22 HD23 ' A' ' 20' ' ' LEU . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.787 HD12 ' CD1' ' A' ' 75' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 69' ' ' SER . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE3' HG21 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 HG23 ' HE ' ' A' ' 44' ' ' ARG . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 85' ' ' VAL . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.628 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.549 ' CG ' HD23 ' A' ' 80' ' ' LEU . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 53' ' ' ASN . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 45' ' ' TYR . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.609 ' HB3' HG22 ' A' ' 28' ' ' THR . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.787 ' CD1' HD12 ' A' ' 25' ' ' ILE . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 53' ' ' ASN . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CZ ' HG22 ' A' ' 52' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 48' ' ' VAL . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 48' ' ' VAL . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HB3' HD11 ' A' ' 80' ' ' LEU . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 18.4 tp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -152.32 124.4 8.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -65.78 -45.91 80.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 163.08 -35.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.517 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 16.7 m -37.01 -60.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -60.33 -179.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.71 60.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.4 31.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.23 . . . . 0.0 112.377 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.779 ' HE1' HG22 ' A' ' 87' ' ' VAL . 96.5 mtp -54.51 149.57 10.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.1 mmt -99.52 140.39 21.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 159.95 51.51 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.365 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.489 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.8 Cg_endo -69.77 -179.16 2.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.3 m -141.66 176.24 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.16 6.87 41.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.81 111.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -141.45 150.5 42.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.51 120.29 40.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 t -100.2 102.43 13.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.25 114.37 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -107.41 -46.07 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -136.72 -175.45 4.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.66 -31.78 71.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.92 28.09 6.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 m -135.41 129.3 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.615 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -147.99 139.64 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.476 ' O ' HD13 ' A' ' 27' ' ' ILE . 30.7 ttt180 -101.85 126.75 48.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 26' ' ' ARG . 25.7 mm -118.85 94.41 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 69' ' ' SER . 31.8 p -107.41 142.99 36.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.884 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -145.72 -179.35 6.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -134.0 158.92 42.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -128.43 96.78 4.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -51.04 -20.49 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -65.9 -45.35 82.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.593 HD21 HG12 ' A' ' 40' ' ' ILE . 19.0 mt -44.99 153.52 0.5 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.668 0.747 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.1 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -39.38 -70.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -72.6 145.1 47.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 1.8 tp60 -76.33 83.84 3.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -148.83 115.81 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.593 HG12 HD21 ' A' ' 34' ' ' LEU . 32.1 mt -76.64 86.12 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.0 p -79.57 -8.81 59.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.97 164.88 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.1 m -100.98 64.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -117.86 -178.53 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.691 ' HA ' HG22 ' A' ' 66' ' ' THR . 34.7 p90 -149.46 145.65 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -100.76 145.85 27.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -127.82 104.14 7.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.188 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.546 HG22 HG22 ' A' ' 85' ' ' VAL . 84.6 t -94.13 129.3 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.5 ptt180 -109.4 160.73 15.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p90 -167.79 140.11 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 8.0 pttp -145.48 176.39 9.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.542 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 75.2 p -94.57 156.07 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -85.08 -15.8 42.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.447 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 9.2 mm -137.42 122.37 12.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.127 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.78 149.33 88.44 Favored 'Cis proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.369 -0.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -33.46 -51.14 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.073 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -97.95 125.23 42.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.4 142.13 17.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -41.72 123.79 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.455 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.3 m-85 -78.39 117.33 19.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -89.28 145.66 25.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -140.52 159.57 41.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.72 176.45 7.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -132.76 112.59 12.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.54 116.97 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.691 HG22 ' HA ' ' A' ' 45' ' ' TYR . 26.0 p -81.98 96.75 7.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -174.64 171.21 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.136 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.715 HD22 ' HA ' ' A' ' 30' ' ' ALA . 11.3 mt -89.88 16.78 7.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.727 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.4 p -154.75 -178.86 7.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.759 ' CE2' HG22 ' A' ' 72' ' ' VAL . 8.5 t80 -173.14 133.22 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.601 HD12 ' O ' ' A' ' 25' ' ' ILE . 33.1 tp -108.04 105.97 15.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.759 HG22 ' CE2' ' A' ' 70' ' ' TYR . 14.1 t -82.63 136.88 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.129 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.1 p -140.57 162.36 35.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.091 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.52 18.71 65.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.7 mt -81.57 -177.4 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -107.04 143.51 27.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 78' ' ' ASN . 54.1 Cg_endo -69.73 153.43 69.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 77' ' ' PRO . 1.0 OUTLIER 36.41 53.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.3 m -136.95 135.49 37.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.646 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -73.15 123.84 24.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.646 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.2 m-85 -130.37 153.11 49.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 16.5 mp0 -105.21 157.7 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 28.6 m-85 -146.9 132.67 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.0 m -150.34 126.98 10.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.884 HG11 ' CE2' ' A' ' 29' ' ' TRP . 4.5 t -111.35 122.71 66.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.525 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 13.9 ptm -125.23 161.36 27.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.7 p -115.53 137.35 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.779 HG22 ' H ' ' A' ' 90' ' ' GLY . 34.3 m -135.31 138.0 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -115.53 24.29 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.779 ' H ' HG22 ' A' ' 88' ' ' THR . . . 107.75 -72.08 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -100.35 -34.51 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.5 mmp_? -97.77 152.55 19.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 98.3 p -161.7 168.01 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.8 p -117.98 156.39 28.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.7 t -59.92 178.63 0.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.525 ' CZ3' ' HG2' ' A' ' 86' ' ' MET . 98.2 m95 -82.64 115.16 21.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 p -50.5 174.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.5 ptp -48.75 110.12 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 m -60.88 106.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.38 128.99 35.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -94.79 122.75 37.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.99 116.0 2.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.2 m -98.17 109.44 22.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.615 ' CG2' HD11 ' A' ' 25' ' ' ILE . 43.2 p -60.82 173.71 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -84.03 162.27 20.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -73.57 136.26 43.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 40.3 tp -97.98 -59.92 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -37.73 -54.01 1.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.65 164.75 29.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 171.02 15.25 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.239 . . . . 0.0 112.341 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.0 t -103.72 152.06 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 59.5 p -54.45 123.83 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.444 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 t -96.32 175.43 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.832 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -94.09 -51.22 4.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.97 -166.47 0.23 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -97.49 -179.13 4.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m -100.82 177.56 4.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.85 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 140.63 43.23 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.4 mtm -53.7 167.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 38.0 mmt -93.87 142.5 25.13 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.557 0.694 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 168.22 22.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 179.62 3.56 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -143.34 -176.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.84 17.98 37.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.61 107.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.81 160.88 34.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.522 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -123.15 109.69 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -87.27 101.39 13.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.3 mm -63.33 104.52 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 56.1 mt -94.03 -41.03 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -152.49 -178.47 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.403 ' CD2' HD22 ' A' ' 107' ' ' LEU . 47.2 p-80 -61.21 -29.41 69.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -129.17 32.82 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 6.7 m -140.81 125.1 17.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.184 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.611 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.1 mt -144.29 126.99 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -92.25 118.98 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.73 97.38 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.1 p -107.06 136.83 46.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.72 ' CE2' HG11 ' A' ' 85' ' ' VAL . 49.2 p90 -138.48 178.97 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -137.65 145.43 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -115.04 79.32 1.26 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.97 -27.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.0 t -53.44 -49.0 68.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HB2' ' NE2' ' A' ' 38' ' ' GLN . 57.8 mt -47.82 147.64 3.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.566 0.698 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.0 Cg_endo -69.77 -171.37 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.633 2.222 . . . . 0.0 112.401 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.5 ttpt -36.77 -57.14 0.81 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.913 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -75.77 142.71 42.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG3' HD11 ' A' ' 68' ' ' LEU . 2.0 tp60 -103.19 66.9 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -126.26 127.23 45.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 67' ' ' THR . 36.3 mt -87.86 84.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.169 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' THR . 10.2 t -113.78 75.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -163.07 -178.64 6.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -87.98 51.84 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -120.48 158.06 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -144.73 132.82 21.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -88.15 132.93 34.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.3 m -116.44 109.34 17.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.414 HG22 HG13 ' A' ' 85' ' ' VAL . 94.3 t -95.13 116.15 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.622 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 2.7 ptm180 -103.04 151.79 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.4 p90 -156.51 151.86 26.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.577 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.21 176.86 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 70.7 p -97.52 132.42 43.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -62.33 -37.19 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 48.6 mm -123.28 124.96 26.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.089 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.4 Cg_endo -69.8 176.11 34.0 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.325 -0.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.91 -56.41 15.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.059 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -80.64 109.62 15.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' LYS . 9.7 p -152.1 124.79 8.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' THR . 3.7 ttpt -34.52 143.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.622 ' CE2' ' NH2' ' A' ' 49' ' ' ARG . 13.6 m-85 -98.11 120.05 37.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.9 mttm -91.57 130.03 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.508 HD22 ' N ' ' A' ' 62' ' ' ASN . 0.9 OUTLIER -125.66 153.56 43.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.8 -177.5 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -136.49 119.39 16.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.94 117.32 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -84.04 96.98 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.4 t -174.91 179.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 HD11 ' HG3' ' A' ' 38' ' ' GLN . 4.9 mt -103.93 18.57 21.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 m -165.64 141.22 5.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -145.78 126.9 14.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 tp -94.16 114.68 26.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 83' ' ' PHE . 27.0 t -83.56 133.79 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.1 p -133.13 161.6 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.32 52.79 5.04 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.28 168.32 10.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -95.84 137.4 21.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.591 0.71 . . . . 0.0 110.899 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.63 67.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 49.34 49.65 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -147.02 135.18 21.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -77.86 128.86 34.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.815 ' N ' HD13 ' A' ' 80' ' ' LEU . 13.0 m-85 -125.43 157.53 36.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 8.4 mp0 -105.94 149.04 26.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.468 ' CE1' HG21 ' A' ' 72' ' ' VAL . 62.6 m-85 -142.22 123.76 14.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.7 m -144.66 143.12 30.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.72 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.4 t -123.68 137.28 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.508 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.5 ppp? -136.65 159.39 41.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.19 139.93 47.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 92' ' ' ARG . 75.6 m -125.99 136.84 53.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -110.14 60.07 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 67.55 -76.28 0.2 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.54 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.7 ttm-85 -96.73 -35.62 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.832 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' O ' HG23 ' A' ' 88' ' ' THR . 46.6 mtp85 -86.22 170.75 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 p -172.28 147.01 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.2 p -101.39 171.53 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.799 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 t -78.16 -179.34 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.554 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 78.0 m95 -84.9 120.43 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 86.8 p -59.69 174.67 0.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.3 ptm -54.87 115.89 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 38.4 m -61.94 112.34 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.77 124.53 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -95.42 127.97 41.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.25 124.37 4.29 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.6 m -101.98 112.07 24.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.611 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -67.12 162.6 22.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -73.16 156.6 38.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -73.29 131.64 42.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.5 tp -102.68 91.52 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.5 p -60.32 123.91 18.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.69 -91.55 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 111' ' ' SER . 53.9 Cg_endo -69.72 -5.63 16.64 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.731 2.288 . . . . 0.0 112.368 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 110' ' ' PRO . 89.7 p -36.15 118.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -72.34 164.15 26.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -122.32 44.0 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.8 t -81.31 -50.17 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.92 56.35 1.09 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -118.35 137.35 53.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.826 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.0 p -96.35 170.07 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.57 -92.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -177.12 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.643 2.229 . . . . 0.0 112.374 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 94' ' ' SER . 69.1 mtp -70.18 153.38 43.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.452 ' N ' ' SD ' ' A' ' 10' ' ' MET . 0.0 OUTLIER -85.64 132.54 44.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.557 0.694 . . . . 0.0 110.877 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.55 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 177.04 5.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -138.98 179.92 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.98 5.62 20.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.71 102.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.307 . . . . 0.0 111.162 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -127.97 160.98 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.26 129.44 48.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -115.52 105.05 12.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.3 mm -62.51 98.96 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 24' ' ' THR . 62.5 mt -79.58 -42.59 24.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.2 m -149.38 -176.7 5.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.458 ' CD2' HD22 ' A' ' 107' ' ' LEU . 30.1 p-80 -66.83 -20.03 65.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -134.2 18.53 3.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 HG22 HD12 ' A' ' 20' ' ' LEU . 5.7 m -131.03 141.94 50.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.48 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 44.9 mt -145.38 139.21 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 114.76 29.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.5 125.64 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.38 135.59 38.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.4 p90 -133.61 173.83 11.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.67 154.34 48.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.45 119.6 27.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -77.39 -7.36 55.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -76.79 -42.07 42.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -49.13 144.86 7.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.78 -167.99 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.319 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' PRO . 20.6 ttpp -35.44 -66.94 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -72.84 168.18 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.524 ' HG3' HD11 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -104.52 52.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.44 127.12 54.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.9 mt -84.32 110.97 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 p -120.8 36.09 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -127.6 155.43 43.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -78.3 67.21 4.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -132.27 165.81 23.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' HA ' HG22 ' A' ' 66' ' ' THR . 6.0 p90 -143.69 146.94 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -102.01 131.55 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 63' ' ' ALA . 51.1 m -115.46 121.63 43.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.62 134.73 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' NH1' ' CD1' ' A' ' 96' ' ' TRP . 3.6 ptm180 -112.75 159.81 18.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -168.98 138.65 2.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.568 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -148.76 177.79 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.3 p -94.15 134.89 36.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 64.7 mt -128.46 125.15 23.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.618 0.723 . . . . 0.0 111.158 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.78 175.64 35.8 Favored 'Cis proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.18 165.44 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 57.36 33.92 23.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.7 p -79.54 174.44 11.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.26 151.52 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.568 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 13.8 m-85 -114.13 121.24 43.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -99.95 148.7 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -130.96 153.83 48.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' THR . . . -125.51 165.81 17.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -126.75 115.42 19.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.77 116.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.498 HG22 ' HA ' ' A' ' 45' ' ' TYR . 20.3 p -85.28 96.91 9.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 69' ' ' SER . 0.8 OUTLIER -175.07 173.98 2.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.524 HD11 ' HG3' ' A' ' 38' ' ' GLN . 16.3 mt -93.76 18.45 10.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 67' ' ' THR . 1.7 m -158.43 169.33 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -167.42 128.93 1.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 mt -99.57 110.28 22.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -86.57 108.33 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -115.62 140.16 49.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.41 51.33 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -118.3 179.34 4.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -108.95 138.38 20.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.589 0.709 . . . . 0.0 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 152.16 69.08 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 53.8 46.21 26.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.74 139.91 28.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 81' ' ' TYR . 7.7 tp -82.28 130.14 35.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.672 ' N ' HD12 ' A' ' 80' ' ' LEU . 38.4 m-85 -128.08 157.83 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 0.8 OUTLIER -107.17 151.01 25.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HD12 ' A' ' 25' ' ' ILE . 51.3 m-85 -149.09 121.48 8.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.0 t -136.7 160.93 37.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.576 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.9 t -133.65 131.36 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -130.02 154.97 46.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 p -121.22 139.93 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 90' ' ' GLY . 23.6 m -136.11 129.52 31.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -105.01 36.94 2.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.717 ' H ' HG22 ' A' ' 88' ' ' THR . . . 93.99 -80.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -89.87 -34.03 16.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.786 0.327 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -94.2 163.68 13.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.1 p -164.97 168.9 17.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 9' ' ' MET . 51.8 p -125.67 154.77 41.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.853 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.5 t -62.04 170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.64 ' CD1' ' NH1' ' A' ' 49' ' ' ARG . 81.3 m95 -73.41 105.14 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.7 p -44.09 164.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.2 ptm -38.91 135.26 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.7 m -81.61 109.15 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.01 118.08 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 27.2 m170 -91.18 126.68 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.74 131.44 6.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.9 m -107.77 117.88 35.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.894 0.378 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.9 p -66.79 166.43 13.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -77.05 150.62 35.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -70.28 119.57 14.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.458 HD22 ' CD2' ' A' ' 22' ' ' HIS . 39.2 tp -97.89 -54.49 3.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . 2.7 t -37.48 149.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.54 -159.16 23.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 89.45 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.7 p -118.68 175.28 5.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 66.9 m -80.52 137.03 36.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -113.88 84.7 2.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.824 0.345 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -132.8 155.98 47.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.61 -51.32 0.63 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -97.17 176.57 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -39.53 159.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.59 -161.09 28.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.499 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.76 67.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.0 mmm -50.34 139.05 15.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -97.77 138.54 21.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.894 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 159.65 52.58 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.363 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.82 3.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.72 2.28 . . . . 0.0 112.343 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.4 m -151.08 176.98 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.59 11.0 56.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 t -55.25 123.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.785 0.326 . . . . 0.0 111.183 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -140.29 157.51 45.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.43 112.82 19.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.061 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.9 t -97.38 111.43 23.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 mm -69.83 95.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 24' ' ' THR . 26.9 mt -82.78 -44.12 15.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.4 m -153.72 177.39 11.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' ' CD2' ' A' ' 107' ' ' LEU . 22.2 p-80 -52.87 -41.15 64.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 7.9 m-20 -120.27 26.04 9.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.698 HG22 HD12 ' A' ' 20' ' ' LEU . 25.5 m -131.98 135.07 46.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.504 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -152.99 134.78 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HB2' HD11 ' A' ' 20' ' ' LEU . 10.6 ttt180 -95.37 122.53 38.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.4 111.18 35.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 p -122.77 139.31 54.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.741 ' CE2' HG11 ' A' ' 85' ' ' VAL . 38.0 p90 -145.33 171.7 14.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.47 164.16 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 33' ' ' SER . 41.0 t0 -118.67 128.83 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -96.16 -29.63 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 17.0 p -54.71 -48.91 71.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 31' ' ' ASP . 66.1 mt -50.37 151.99 3.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.627 0.727 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.76 -174.06 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.8 mttp -36.12 -37.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 2.5 p80 -100.06 154.24 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -110.55 96.18 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -142.69 109.13 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HD11 ' HG ' ' A' ' 68' ' ' LEU . 21.9 mt -75.82 113.42 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 43' ' ' SER . 73.2 p -81.14 41.05 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 41' ' ' THR . 28.6 m-20 37.72 28.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 41' ' ' THR . 21.3 t -87.5 -68.49 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -80.87 176.86 9.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -138.73 145.7 40.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -101.53 148.23 25.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.8 m -130.45 109.45 10.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.126 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.41 122.39 44.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HD2' ' CH2' ' A' ' 96' ' ' TRP . 3.9 ptm180 -105.3 145.15 31.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -154.0 147.2 24.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.56 -178.73 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.552 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 76.8 p -99.61 123.12 43.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.096 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.517 ' CG ' HD23 ' A' ' 80' ' ' LEU . 13.1 t30 -56.09 -29.08 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 26.3 mm -127.1 129.44 23.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.663 0.744 . . . . 0.0 111.098 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.73 179.18 22.95 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 -1.807 . . . . 0.0 112.339 -0.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.25 -52.73 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -81.41 99.45 8.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.6 p -143.56 160.16 41.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.67 154.1 41.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.575 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 14.5 m-85 -101.97 140.02 36.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -108.88 161.74 14.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -161.32 138.53 8.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.45 179.75 4.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -127.92 119.6 25.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -156.78 115.39 3.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.8 p -83.17 96.8 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.449 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.12 171.91 2.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' N ' ' OG1' ' A' ' 67' ' ' THR . 7.1 mt -92.56 19.99 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 70' ' ' TYR . 13.2 t -161.28 -179.78 7.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 6.4 t80 -165.47 146.67 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.1 OUTLIER -118.45 106.51 12.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.39 128.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.6 p -134.28 145.31 48.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.98 54.03 2.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 7.0 mt -114.9 -179.31 3.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -102.96 139.02 19.73 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.548 0.689 . . . . 0.0 110.885 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.2 Cg_endo -69.81 165.31 31.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 5.0 p30 36.77 52.75 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.6 m -145.53 149.93 35.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 ' CG ' ' A' ' 53' ' ' ASN . 11.7 tp -95.42 121.06 36.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.552 ' CZ ' HG22 ' A' ' 52' ' ' THR . 13.9 m-85 -118.93 151.99 37.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.556 ' HG2' HG23 ' A' ' 99' ' ' THR . 1.4 tm-20 -103.96 140.32 37.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -133.23 120.7 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.3 m -132.57 154.17 50.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 29' ' ' TRP . 10.5 t -132.1 130.21 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.478 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 15.4 ptm -136.1 148.93 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.07 150.66 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.951 HG23 ' O ' ' A' ' 92' ' ' ARG . 51.5 m -135.06 122.11 21.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.178 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -103.87 173.85 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.12 108.04 0.13 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 55.12 41.09 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.951 ' O ' HG23 ' A' ' 88' ' ' THR . 32.1 mmt180 -145.34 179.66 7.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.0 p -174.71 137.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 p -105.44 139.43 40.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -52.24 174.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.508 ' CH2' ' HD2' ' A' ' 49' ' ' ARG . 95.4 m95 -81.9 126.73 32.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 47.0 p -66.85 165.98 14.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 ptp -45.61 117.35 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.556 HG23 ' HG2' ' A' ' 82' ' ' GLU . 94.7 m -57.64 129.02 39.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.02 114.66 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -91.83 131.83 36.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.7 118.06 0.85 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.4 m -93.06 132.43 37.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.889 0.376 . . . . 0.0 111.12 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.504 ' CG2' HD11 ' A' ' 25' ' ' ILE . 36.0 p -76.28 165.39 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -72.19 158.76 35.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -75.35 117.85 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.581 ' CD2' ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -49.84 -62.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 76.0 p -87.68 -53.88 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.73 -152.16 17.14 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 91.49 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.267 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 p -80.35 -175.56 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.6 p -159.24 107.66 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -121.2 154.29 36.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -116.14 166.22 12.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.08 44.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -53.27 154.37 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.7 m -110.66 -55.03 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.92 64.44 0.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 129.69 18.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.703 2.269 . . . . 0.0 112.326 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.3 mtm -97.36 166.19 11.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 10' ' ' MET . 2.0 mpp? -80.59 120.76 80.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.586 0.707 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 159.87 51.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.27 . . . . 0.0 112.338 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 97' ' ' SER . 53.1 Cg_endo -69.77 119.06 6.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -102.65 169.31 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.79 2.51 90.14 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG21 ' OG ' ' A' ' 97' ' ' SER . 15.2 t -45.72 122.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -134.13 174.57 10.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.77 105.4 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -91.32 111.87 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.6 93.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.578 HD12 HG22 ' A' ' 24' ' ' THR . 26.1 mt -82.22 -42.26 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -148.65 172.71 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 56.2 p-80 -56.5 -28.76 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.35 28.2 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.578 HG22 HD12 ' A' ' 20' ' ' LEU . 35.0 m -136.21 128.03 29.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.1 mt -141.45 138.02 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 20' ' ' LEU . 29.1 ttt85 -105.14 129.75 53.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.5 mm -117.67 107.83 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.7 p -117.25 129.96 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.836 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -133.57 174.07 10.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.27 143.71 49.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.129 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.817 ' CG ' HD21 ' A' ' 68' ' ' LEU . 8.7 p30 -113.67 77.37 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' SER . 1.1 p30 -39.33 -39.11 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' ASN . 32.6 t -35.74 -41.65 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.674 HD12 ' OD1' ' A' ' 31' ' ' ASP . 93.1 mt -68.52 143.95 95.83 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.624 0.725 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.5 Cg_endo -69.77 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.2 tptp -36.38 -46.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -88.17 143.51 27.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -100.7 64.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -119.69 115.28 23.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.8 mt -69.02 81.69 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.9 p -93.44 46.68 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -140.49 176.45 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 m -103.62 37.41 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.482 HH21 HD21 ' A' ' 34' ' ' LEU . 6.4 ptt180 -92.21 161.72 14.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.777 ' HA ' HG22 ' A' ' 66' ' ' THR . 5.5 p90 -135.7 137.62 41.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -93.2 158.5 15.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.4 m -134.86 112.7 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.0 t -96.74 121.56 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -111.65 142.49 43.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CZ2' ' HD3' ' A' ' 61' ' ' LYS . 35.4 p90 -147.75 152.24 37.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 19.1 pttt -151.38 176.28 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' CE1' ' A' ' 81' ' ' TYR . 19.9 p -104.33 144.48 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' CB ' ' HB3' ' A' ' 80' ' ' LEU . 5.9 t-20 -69.97 -22.26 63.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 96.4 mt -127.0 122.15 23.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 111.193 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.1 Cg_endo -69.71 -175.27 10.59 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.343 -0.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.59 -48.59 31.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -99.48 84.27 2.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.6 t -117.66 155.03 30.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 154.74 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.538 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 12.8 m-85 -101.96 149.36 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HD3' ' CZ2' ' A' ' 50' ' ' TRP . 17.7 mttm -113.01 165.44 12.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -150.6 152.45 34.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -129.82 176.05 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -135.53 108.93 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.67 115.15 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 45' ' ' TYR . 19.0 p -85.23 96.69 9.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -175.17 174.1 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.105 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.817 HD21 ' CG ' ' A' ' 31' ' ' ASP . 14.5 mt -99.79 28.02 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.8 p -170.85 126.37 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.542 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 4.5 t80 -129.78 144.79 51.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 2.5 tt -120.67 128.44 52.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' HE1' ' A' ' 83' ' ' PHE . 4.8 t -105.89 139.29 27.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.2 p -139.07 144.59 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.168 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.17 42.18 1.96 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.0 171.52 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.456 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 12.5 ttmm -94.93 142.64 24.91 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.639 0.733 . . . . 0.0 110.857 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.7 Cg_endo -69.76 160.38 49.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.367 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.1 p30 42.09 52.26 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 17.7 m -147.44 130.98 16.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ASN . 55.7 tp -69.5 136.57 51.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.604 ' CE1' HG22 ' A' ' 52' ' ' THR . 26.6 m-85 -134.07 149.69 51.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -104.06 155.52 18.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' HE1' HG21 ' A' ' 72' ' ' VAL . 91.2 m-85 -152.05 126.43 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -145.17 144.34 30.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.836 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.2 t -121.9 143.52 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.44 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 28.2 ptm -139.54 162.48 34.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.5 p -122.72 144.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 44.6 m -137.97 140.05 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' O ' ' CD ' ' A' ' 92' ' ' ARG . 34.5 ttmt -152.41 143.48 23.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.73 -102.63 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -131.21 23.53 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' CD ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -119.1 174.66 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.1 p -171.97 139.67 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 p -92.99 166.75 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.9 t -72.86 175.98 6.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.44 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.1 m95 -80.02 111.04 15.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.514 ' OG ' HG21 ' A' ' 15' ' ' VAL . 70.6 p -44.57 165.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.83 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.9 ptm -46.67 119.68 2.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.3 m -62.83 119.83 10.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.155 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.27 117.48 30.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -92.9 116.33 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.72 126.01 5.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.7 m -104.15 119.17 38.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 111.148 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -64.39 172.16 2.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -86.38 147.96 25.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 106' ' ' GLU . 0.1 OUTLIER -60.17 133.42 56.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 8.1 tp -97.99 82.87 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.0 m -140.83 168.79 18.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.14 -93.26 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -44.85 1.78 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.217 . . . . 0.0 112.372 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 t -79.06 53.77 1.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.2 m -53.45 -44.49 68.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.518 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -105.26 163.49 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -121.21 -55.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.32 148.91 36.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -96.57 61.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -146.03 144.99 30.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.09 87.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 171.46 14.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.608 ' CE ' HG22 ' A' ' 87' ' ' VAL . 56.6 mtp -46.15 134.71 8.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.2 ptp -89.1 137.27 29.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.67 33.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.634 2.223 . . . . 0.0 112.314 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 179.22 3.82 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.6 m -147.92 177.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.44 22.34 63.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -58.51 126.59 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.764 0.316 . . . . 0.0 111.138 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -129.61 155.76 45.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.34 99.84 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 m -94.32 136.45 34.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.497 ' C ' HD13 ' A' ' 20' ' ' LEU . 22.8 mm -98.71 119.68 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' H ' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -106.66 -45.61 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 71.4 m -141.38 179.15 6.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.692 ' CD2' HD22 ' A' ' 107' ' ' LEU . 36.8 p-80 -70.47 -24.62 62.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -124.75 21.61 8.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -137.57 134.33 35.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 HD13 ' A' ' 75' ' ' LEU . 78.5 mt -149.03 135.05 12.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.648 ' HA ' HD12 ' A' ' 71' ' ' LEU . 56.5 ttt180 -98.35 131.3 44.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.7 mm -126.1 108.02 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.161 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.3 p -119.51 143.39 47.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.0 p90 -137.79 -176.38 4.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.65 134.46 35.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -101.6 105.8 16.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -68.16 -31.19 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 m -49.41 -37.82 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.2 mt -60.51 144.28 88.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.614 0.721 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 36' ' ' LYS . 54.2 Cg_endo -69.76 -175.06 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.364 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 19.5 mtpt -34.4 -64.49 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -81.22 125.57 30.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -70.46 105.55 3.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 41' ' ' THR . 31.2 tttt -148.98 123.92 10.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.871 HD13 HH21 ' A' ' 44' ' ' ARG . 58.8 mt -87.12 79.2 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' ' 39' ' ' LYS . 66.5 p -106.23 44.07 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -139.47 157.69 45.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.8 m -81.69 70.28 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.871 HH21 HD13 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -130.8 165.39 23.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.464 ' N ' ' HD2' ' A' ' 44' ' ' ARG . 35.5 p90 -146.24 155.08 42.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.649 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 11.0 m-85 -104.97 146.11 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.9 m -132.64 99.67 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.7 t -91.95 138.03 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -118.97 156.79 28.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE2' ' HB3' ' A' ' 61' ' ' LYS . 43.3 p90 -156.26 142.8 18.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -160.72 169.68 22.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.417 HG22 ' CE1' ' A' ' 81' ' ' TYR . 29.0 p -101.88 138.52 38.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.57 -13.87 58.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mm -126.42 109.28 23.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 179.6 21.85 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.338 -0.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.59 -49.22 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -77.82 91.49 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.8 p -135.91 155.29 50.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.24 149.85 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -92.83 134.57 34.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 50' ' ' TRP . 7.2 mmtp -112.46 120.74 42.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -120.64 169.65 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.457 ' HB2' ' HH2' ' A' ' 50' ' ' TRP . . . -140.76 -179.21 5.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -136.59 109.85 7.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.829 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -151.35 119.09 6.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 45' ' ' TYR . 42.4 p -87.26 96.53 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.083 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -175.89 172.59 2.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.9 mt -95.31 26.42 3.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 p -161.08 167.34 26.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.587 ' CE2' HG22 ' A' ' 72' ' ' VAL . 9.1 t80 -168.09 131.17 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' ' 26' ' ' ARG . 7.1 tp -112.21 104.92 13.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.587 HG22 ' CE2' ' A' ' 70' ' ' TYR . 12.0 t -78.05 144.44 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.8 p -148.51 152.01 36.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.63 45.29 4.33 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.473 HD13 HD12 ' A' ' 25' ' ' ILE . 5.5 mt -112.39 166.35 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 0.0 110.946 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 36.4 tttt -87.16 139.44 32.33 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.598 0.713 . . . . 0.0 110.919 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.1 Cg_endo -69.82 157.82 58.98 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.339 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.6 t30 40.38 52.38 2.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.3 m -142.68 130.81 21.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.703 HD13 ' N ' ' A' ' 81' ' ' TYR . 1.4 tm? -64.44 128.89 37.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.703 ' N ' HD13 ' A' ' 80' ' ' LEU . 12.2 m-85 -130.67 149.1 52.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.629 ' HG2' HG23 ' A' ' 99' ' ' THR . 0.9 OUTLIER -114.57 143.0 45.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -137.07 136.12 38.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.431 ' OG ' ' CE3' ' A' ' 96' ' ' TRP . 93.1 p -149.28 148.32 29.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.533 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.7 t -118.97 129.45 75.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.475 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 1.4 ppp? -126.96 154.61 44.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.608 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.3 p -118.5 140.79 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 92' ' ' ARG . 3.4 m -137.49 132.8 33.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.13 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.1 tmmm? -170.97 148.83 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 61.47 42.01 99.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 56.5 mtp180 59.63 27.59 16.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 88' ' ' THR . 69.1 mtt85 -132.67 171.9 13.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.46 ' HB2' ' CE ' ' A' ' 86' ' ' MET . 57.5 p -156.12 161.9 40.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.2 p -117.86 150.92 38.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -56.68 169.38 0.49 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 89.9 m95 -78.59 110.02 13.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 88.9 p -50.93 176.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -46.27 116.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.629 HG23 ' HG2' ' A' ' 82' ' ' GLU . 4.4 m -73.87 125.52 28.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.39 121.3 40.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.086 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -93.33 123.21 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.94 117.25 2.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.4 m -95.13 104.51 16.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 111.139 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 25' ' ' ILE . 35.4 p -52.51 164.87 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.101 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -79.68 161.97 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -68.95 138.89 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.692 HD22 ' CD2' ' A' ' 22' ' ' HIS . 41.3 tp -102.81 -48.49 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.2 t -105.39 91.67 3.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 123.48 72.46 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.57 33.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.0 p -146.12 136.82 24.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -126.8 116.09 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.832 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -172.94 138.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.919 0.39 . . . . 0.0 110.834 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -162.58 170.79 17.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.5 131.45 3.28 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -100.19 39.16 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -114.21 -44.74 3.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.02 68.76 0.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.553 ' HE1' HG22 ' A' ' 87' ' ' VAL . 66.1 mtp -88.33 141.32 28.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.8 ptp -100.46 138.48 20.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.549 0.69 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 167.82 23.38 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.706 2.271 . . . . 0.0 112.361 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 178.26 4.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.7 m -141.14 174.39 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.94 34.27 89.43 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -71.41 115.04 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -136.33 153.51 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.52 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.6 m -104.98 107.64 18.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 mm -74.31 108.36 5.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.7 mt -103.71 -40.99 6.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 m -148.81 -177.74 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 46.6 p-80 -67.15 -28.86 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -125.61 32.9 5.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.818 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.563 HG23 HD21 ' A' ' 71' ' ' LEU . 5.8 m -140.85 127.57 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.639 HD11 HG23 ' A' ' 104' ' ' THR . 35.9 mt -152.0 115.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -86.21 127.66 34.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.4 mm -116.2 106.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -111.93 139.22 47.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.2 p90 -141.73 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.796 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -142.3 175.6 9.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -156.11 109.4 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -64.31 -26.83 68.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.8 t -56.27 -39.25 72.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.8 mt -40.36 148.91 0.32 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.58 0.705 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.7 Cg_endo -69.78 -169.07 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' PRO . 17.0 mtpp -36.91 -55.46 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -93.91 160.41 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -79.3 -34.19 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' GLN . 11.8 tptp -35.38 108.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' A' ' 67' ' ' THR . 11.5 mt -72.91 91.49 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.1 p -123.11 45.37 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -116.63 40.53 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 t 42.04 44.15 2.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -125.2 148.77 48.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' HA ' HG22 ' A' ' 66' ' ' THR . 7.1 p90 -129.42 144.98 51.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -98.41 142.95 29.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.9 m -117.87 113.45 21.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.3 t -98.52 118.26 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.161 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 3.9 ptp180 -102.66 159.56 15.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -161.53 138.61 8.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.55 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -155.76 159.57 39.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.924 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.588 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 45.2 p -93.01 138.06 31.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -64.67 -36.78 85.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 61.9 mt -118.74 124.82 28.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.79 166.19 74.79 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.324 -0.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.41 -56.22 7.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -70.84 84.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.7 m -140.12 150.34 44.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -66.79 171.57 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 10.9 m-85 -113.44 154.84 26.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -105.53 170.71 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.0 150.22 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.81 176.2 8.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -136.88 109.25 7.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.29 126.32 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.625 HG22 ' HA ' ' A' ' 45' ' ' TYR . 71.4 p -90.25 96.65 10.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.622 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -175.47 174.74 2.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 30' ' ' ALA . 23.9 mt -97.36 23.81 7.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -158.38 171.59 19.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -174.93 128.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.563 HD21 HG23 ' A' ' 24' ' ' THR . 3.1 tt -103.77 123.56 47.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -96.43 134.62 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.42 36.27 7.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.49 162.14 13.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.376 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -80.43 143.66 55.98 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.514 0.673 . . . . 0.0 110.94 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' CB ' ' HB2' ' A' ' 107' ' ' LEU . 53.8 Cg_endo -69.76 146.07 59.05 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 43.03 51.99 5.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -135.54 131.01 35.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -62.54 127.68 32.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.588 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 10.9 m-85 -131.4 151.29 51.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' OE2' ' CD1' ' A' ' 80' ' ' LEU . 3.2 mp0 -104.4 149.69 25.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -141.74 122.59 14.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.6 m -147.37 145.05 29.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 6.2 t -122.37 140.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.096 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 26.3 ptm -138.18 150.83 47.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.553 HG22 ' HE1' ' A' ' 9' ' ' MET . 4.5 p -109.09 136.58 44.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.564 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 98.9 m -120.0 148.57 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 0.6 OUTLIER -146.83 177.13 9.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -39.71 95.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 89' ' ' LYS . 26.4 ttp180 53.91 44.54 29.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -145.27 151.23 38.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 p -159.4 146.37 16.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.5 p -112.02 165.64 11.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.0 t -63.34 177.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.165 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 89.3 m95 -88.97 119.47 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.5 p -54.65 171.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.0 ptp -49.31 108.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.0 m -59.78 115.55 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.42 120.44 29.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -93.63 122.76 36.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.56 122.51 4.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.6 m -96.13 105.36 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 111.12 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.639 HG23 HD11 ' A' ' 25' ' ' ILE . 15.0 p -57.82 161.16 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -81.07 175.03 11.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -76.95 134.79 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 4.0 tt -62.4 127.16 30.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.412 ' N ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -43.26 -72.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.87 149.71 6.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 1.22 4.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 81.5 p -39.19 120.04 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.2 t -94.96 -36.13 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 p -158.48 144.49 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -135.99 152.43 50.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.61 136.61 8.48 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -109.36 78.39 1.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -90.77 109.15 20.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.93 -74.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -165.7 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 75.0 mmm -52.65 141.88 19.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 29.3 mmt -96.26 139.23 21.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.596 0.713 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 160.22 50.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.718 2.279 . . . . 0.0 112.313 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.81 119.16 6.15 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.22 -178.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.05 10.56 27.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.7 t -56.4 112.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 0.0 111.18 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -136.99 167.48 21.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.08 104.24 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -85.83 101.09 12.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.7 mm -57.14 99.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 24' ' ' THR . 18.2 mt -85.4 -44.65 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -149.8 -178.83 6.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 47.4 p-80 -65.12 -23.89 67.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -132.03 27.24 4.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 20' ' ' LEU . 3.9 m -140.06 132.36 28.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -147.11 133.94 13.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' LEU . 18.0 ttm-85 -96.71 112.83 24.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.9 mm -104.12 96.06 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.2 p -113.48 146.93 38.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.471 ' CE3' HG21 ' A' ' 85' ' ' VAL . 45.9 p90 -142.97 177.07 8.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.37 132.14 47.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -111.24 82.36 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -43.84 -32.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -42.93 -37.5 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 68' ' ' LEU . 82.3 mt -58.21 144.39 77.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.947 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.563 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.1 Cg_endo -69.71 -169.09 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.372 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -44.23 -35.58 2.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 13.2 p80 -98.76 153.53 18.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 39' ' ' LYS . 28.0 mm100 -95.59 87.12 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.413 ' HG3' ' C ' ' A' ' 38' ' ' GLN . 15.5 mttm -154.14 117.86 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.704 HG23 ' NE ' ' A' ' 44' ' ' ARG . 17.6 mt -65.46 -74.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' ILE . 4.3 t 33.54 47.71 0.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -124.99 18.5 8.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m 60.15 28.19 17.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.819 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.704 ' NE ' HG23 ' A' ' 40' ' ' ILE . 4.0 ptt180 -110.29 163.2 13.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.685 ' HB2' HG22 ' A' ' 66' ' ' THR . 3.9 p90 -136.66 170.84 15.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -128.02 148.8 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -126.11 126.51 44.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -112.26 118.63 58.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.2 ptp180 -109.3 159.66 16.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -168.38 145.86 4.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HD3' ' CD2' ' A' ' 60' ' ' TYR . 10.5 pttm -142.6 173.54 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 81' ' ' TYR . 82.0 p -111.74 121.31 44.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -49.02 -28.63 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.45 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 23.2 mm -128.95 122.88 21.58 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.74 -163.82 2.34 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.35 -0.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.07 -27.81 11.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -94.71 84.26 4.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.5 m -143.78 137.44 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 60' ' ' TYR . 35.9 mmtt -69.48 101.61 1.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 49' ' ' ARG . 1.2 t80 -33.93 142.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.2 mtpt -97.76 163.85 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -158.64 146.68 18.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -127.85 173.34 10.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -125.24 124.19 41.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.18 116.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.685 HG22 ' HB2' ' A' ' 45' ' ' TYR . 70.0 p -88.76 97.02 10.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 69' ' ' SER . 5.6 t -174.97 -177.21 1.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 HD11 HD11 ' A' ' 34' ' ' LEU . 7.1 mt -102.2 20.58 16.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 67' ' ' THR . 33.9 p -157.6 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.6 t80 -173.15 146.44 1.45 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 mt -123.98 103.18 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.66 117.69 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.074 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 34.9 p -119.54 157.72 27.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.73 52.73 3.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . 6.0 mt -120.42 170.06 9.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -95.42 149.23 35.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.542 0.687 . . . . 0.0 110.904 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' ASN . 53.9 Cg_endo -69.78 152.96 69.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.652 2.235 . . . . 0.0 112.331 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' PRO . 13.8 t30 37.94 39.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.5 m -117.38 122.5 44.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -55.96 128.55 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.663 ' N ' HD13 ' A' ' 80' ' ' LEU . 28.0 m-85 -135.68 142.42 45.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.418 ' HG2' ' CD2' ' A' ' 101' ' ' HIS . 27.3 mt-10 -104.47 146.38 28.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -138.85 134.67 33.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.1 t -147.81 151.35 35.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.487 ' O ' ' CG ' ' A' ' 12' ' ' PRO . 21.7 t -134.72 135.17 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -130.97 162.56 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.42 141.67 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -136.43 121.07 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -103.55 70.18 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.02 -93.35 0.32 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -86.25 -31.26 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -83.2 162.43 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.6 p -166.76 142.68 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.7 p -102.43 179.81 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -93.3 170.08 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.447 ' CZ2' ' NE ' ' A' ' 49' ' ' ARG . 86.1 m95 -72.48 123.8 23.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 60.8 p -61.69 162.81 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.05 110.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -54.77 110.77 0.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.26 124.44 34.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' CD2' ' HG2' ' A' ' 82' ' ' GLU . 60.5 m80 -94.1 129.68 40.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.8 115.49 2.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -96.8 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.4 p -52.55 166.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -75.47 -177.78 3.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -90.45 121.68 32.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.4 tp -83.94 -55.36 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.9 m -53.45 152.02 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.89 147.46 18.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.443 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.99 58.9 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 48.0 t -59.1 -50.34 74.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 45.2 t -58.65 132.38 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -88.81 104.72 17.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.804 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -89.01 -58.27 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.86 117.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -169.96 117.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -61.21 122.6 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.86 -79.15 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -176.53 1.5 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.0 mtm -90.58 155.1 19.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' A' ' 10' ' ' MET . 3.1 mpp? -78.07 124.03 86.04 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.525 0.679 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.42 46.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' CG ' ' HB ' ' A' ' 85' ' ' VAL . 53.9 Cg_endo -69.75 119.29 6.26 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.17 -175.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.27 6.21 25.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.0 t -47.47 104.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.172 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -113.55 145.48 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -119.23 101.01 7.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -94.26 126.04 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.59 ' C ' HD13 ' A' ' 20' ' ' LEU . 10.3 mm -88.69 124.65 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.59 HD13 ' C ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -113.43 -45.99 3.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -144.82 176.7 9.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.1 p-80 -60.42 -28.45 68.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -128.14 29.87 5.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -137.77 123.15 19.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.411 HD12 ' CD1' ' A' ' 75' ' ' LEU . 76.3 mt -142.68 132.26 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -94.8 124.33 38.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.8 mm -119.02 105.01 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 p -121.7 141.2 51.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.06 -177.93 4.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.91 134.3 42.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.669 ' HB3' HD12 ' A' ' 34' ' ' LEU . 35.9 t0 -98.0 121.86 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -90.73 -38.74 12.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.2 t -44.37 -52.67 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' A' ' 31' ' ' ASP . 17.2 mt -45.35 150.95 0.78 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.45 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.375 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -39.5 -56.08 1.69 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -77.83 118.89 20.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -76.11 101.01 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.6 mttt -152.76 131.68 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.7 HG21 HH21 ' A' ' 44' ' ' ARG . 31.1 mt -91.44 110.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' ASP . 47.5 p -81.28 41.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' THR . 21.1 t0 36.51 34.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' THR . 38.3 m -94.27 -35.59 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.808 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.7 HH21 HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -128.37 175.67 8.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 5.6 p90 -137.77 169.55 17.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.63 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 25.9 m-85 -120.24 132.98 55.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -117.09 111.15 19.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 85' ' ' VAL . 99.0 t -94.65 142.55 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -124.93 147.37 48.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.9 p90 -151.57 138.41 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' HG22 ' A' ' 58' ' ' THR . 13.8 pttt -145.1 -179.64 6.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.489 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 64.3 p -102.5 131.3 49.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.87 -27.68 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 15.6 mm -113.95 125.61 29.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.86 176.9 31.03 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.284 0.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -37.36 -61.51 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -115.73 130.92 57.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.562 HG22 ' HD2' ' A' ' 51' ' ' LYS . 14.6 t -145.17 160.15 41.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -42.81 143.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CZ ' ' HD3' ' A' ' 51' ' ' LYS . 12.7 m-85 -104.46 146.76 28.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -114.19 158.34 21.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -143.73 149.58 37.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.06 178.03 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -135.72 106.0 6.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.7 115.01 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 64.2 p -85.14 96.97 9.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.552 HG23 ' O ' ' A' ' 69' ' ' SER . 6.3 t -175.23 178.93 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.42 18.15 20.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 67' ' ' THR . 22.7 t -160.89 159.71 30.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 71' ' ' LEU . 7.7 t80 -150.28 148.77 29.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 70' ' ' TYR . 0.9 OUTLIER -123.71 110.14 14.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.879 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.7 t -95.89 139.55 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -145.11 167.48 22.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.85 40.33 17.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.411 ' CD1' HD12 ' A' ' 25' ' ' ILE . 8.6 mt -105.16 170.12 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.943 0.402 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.436 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.7 tttm -81.59 139.15 47.43 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.597 0.713 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.436 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 53.4 Cg_endo -69.75 155.3 66.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.695 2.263 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 40.27 38.4 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 98.9 m -128.65 131.34 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.5 tp -75.45 135.01 40.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CZ ' HG22 ' A' ' 52' ' ' THR . 12.8 m-85 -130.7 160.87 33.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 144.14 33.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -136.62 135.04 37.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.4 m -152.85 151.76 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.638 HG22 HG22 ' A' ' 48' ' ' VAL . 17.0 t -131.39 137.95 54.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 2.4 ppp? -138.99 159.84 41.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 1.8 p -127.87 146.89 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.535 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 28.2 m -134.49 133.18 40.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 92' ' ' ARG . 9.2 ttmt -113.75 43.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.91 -84.99 0.74 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.518 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -102.03 -25.49 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' CG ' ' HB3' ' A' ' 89' ' ' LYS . 2.5 ptp180 -97.42 154.15 17.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -160.38 170.83 20.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.7 p -120.92 146.22 46.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.8 t -56.5 174.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -77.2 115.74 17.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 78.5 p -54.63 174.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.9 ptp -49.19 123.82 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.829 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.9 m -68.42 117.31 10.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.89 120.75 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -98.86 122.91 42.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.13 117.64 1.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.5 m -92.38 120.89 33.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.895 0.379 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.8 p -71.09 158.91 35.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -76.22 161.72 28.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -67.66 137.58 55.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.6 tt -71.11 -56.19 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.9 t -83.31 101.05 11.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.2 152.4 32.64 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -8.64 24.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m 60.3 41.41 16.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.9 p -82.96 170.83 14.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -47.24 -55.69 8.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.922 0.391 . . . . 0.0 110.858 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 48.35 40.77 15.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 72.73 0.99 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 t -78.42 -43.6 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.86 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 m -86.46 111.22 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.1 -74.26 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.47 24.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.483 ' HE1' ' HG3' ' A' ' 89' ' ' LYS . 80.4 mmm -44.04 136.92 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mtm -91.68 124.69 59.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 155.73 65.22 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.553 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.7 Cg_endo -69.76 126.2 13.04 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.61 177.79 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.26 36.4 68.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG21 ' OG ' ' A' ' 97' ' ' SER . 43.4 t -79.91 112.21 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -135.63 154.47 51.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -117.96 121.01 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -101.76 111.04 23.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mm -68.87 122.42 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.747 HD12 HG22 ' A' ' 24' ' ' THR . 39.1 mt -111.03 -42.9 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -154.31 -176.2 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 107' ' ' LEU . 7.1 p-80 -59.68 -38.96 82.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -121.47 37.08 4.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.747 HG22 HD12 ' A' ' 20' ' ' LEU . 5.6 m -140.98 128.72 21.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.568 ' O ' HD12 ' A' ' 71' ' ' LEU . 37.8 mt -152.45 125.95 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -93.98 128.58 40.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 17' ' ' ALA . 49.3 mm -119.77 106.92 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.077 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.0 p -114.65 153.15 30.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.777 ' CE3' HG21 ' A' ' 85' ' ' VAL . 42.8 p90 -155.14 -176.65 6.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.34 168.87 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -141.32 124.62 16.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.527 ' H ' ' ND2' ' A' ' 32' ' ' ASN . 0.3 OUTLIER -78.44 -31.55 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.2 t -48.91 -42.85 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.4 mt -49.66 148.3 5.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -163.54 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.403 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' HE2' ' N ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -78.53 44.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 39' ' ' LYS . 6.8 p80 -175.16 107.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -53.74 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 37' ' ' HIS . 20.7 mtpp -148.66 112.32 5.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 40' ' ' ILE . 74.9 mt -83.56 76.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.0 p -99.55 76.86 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -174.06 168.0 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.0 t -86.61 44.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -103.12 133.44 48.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.681 ' HA ' HG22 ' A' ' 66' ' ' THR . 16.9 p90 -116.74 146.43 42.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -101.33 137.61 39.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 37.4 m -114.77 113.79 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 84' ' ' SER . 76.9 t -106.68 113.41 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -101.01 151.88 21.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 44.2 p90 -146.89 133.9 20.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.35 156.03 44.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.486 HG22 ' CE1' ' A' ' 81' ' ' TYR . 72.0 p -85.28 129.59 34.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.747 ' CB ' HD13 ' A' ' 80' ' ' LEU . 28.6 t-20 -55.85 -37.03 68.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 53' ' ' ASN . 3.7 mp -121.44 130.15 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.627 0.727 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.81 -177.78 15.37 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.345 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.31 -65.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -77.51 87.73 3.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.7 m -126.84 139.49 53.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.86 171.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -121.84 174.64 6.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.479 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 4.4 mmpt? -138.24 174.47 10.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -160.03 137.0 9.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -121.69 126.58 49.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -88.05 112.52 22.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.4 115.0 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.681 HG22 ' HA ' ' A' ' 45' ' ' TYR . 21.8 p -86.04 96.87 10.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.166 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.21 171.95 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 13.0 mt -95.14 22.12 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.1 p -167.54 133.09 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.5 t80 -138.43 134.62 34.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 25' ' ' ILE . 6.4 tp -109.53 122.69 47.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.93 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' CE2' ' A' ' 70' ' ' TYR . 39.9 t -91.1 140.97 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.7 p -142.18 144.11 33.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.35 51.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.6 mt -114.01 167.59 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.915 0.388 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 15.5 tttp -89.16 139.86 28.77 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.872 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.79 158.53 56.59 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 41.44 53.25 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.9 m -149.04 120.43 7.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.747 HD13 ' CB ' ' A' ' 53' ' ' ASN . 2.0 tt -57.06 132.63 53.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.623 ' N ' HD23 ' A' ' 80' ' ' LEU . 10.4 m-85 -134.48 142.08 46.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.421 ' CD ' ' C ' ' A' ' 82' ' ' GLU . 1.4 tm-20 -104.28 155.06 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -147.32 120.76 9.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.428 ' O ' HG13 ' A' ' 48' ' ' VAL . 51.7 m -128.89 161.87 28.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.777 HG21 ' CE3' ' A' ' 29' ' ' TRP . 21.4 t -135.14 137.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.595 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.2 ptm -144.23 154.47 43.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.1 p -118.16 143.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' ARG . 74.4 m -132.7 139.77 47.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.483 ' HG3' ' HE1' ' A' ' 9' ' ' MET . 16.3 mtmt -139.55 125.07 19.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.68 -103.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -121.94 29.68 6.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' O ' HG23 ' A' ' 88' ' ' THR . 16.7 mmm180 -135.81 174.77 10.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -172.17 -179.4 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.2 p -125.08 162.09 25.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.798 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.4 t -64.51 177.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.595 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 98.5 m95 -84.9 107.17 16.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 78.8 p -45.81 167.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 16.9 ptm -39.11 119.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.9 122.12 15.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.21 113.27 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 68.7 m80 -95.45 133.08 39.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.48 128.69 2.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.4 m -104.28 121.55 43.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.882 0.372 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.4 p -67.06 162.79 21.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -78.11 145.15 35.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.26 129.7 42.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 22' ' ' HIS . 0.5 OUTLIER -53.58 109.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -144.81 126.87 15.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 166.31 85.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -40.51 5.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.4 t -142.85 117.94 10.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.0 m 42.28 41.8 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.814 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.442 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -130.9 169.1 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 143.09 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 120.98 9.02 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -150.72 145.59 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.36 . . . . 0.0 110.857 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 m -83.36 -74.07 0.38 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.49 55.88 0.18 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.88 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.516 ' CE ' HG22 ' A' ' 87' ' ' VAL . 97.8 mtp -54.33 126.32 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.32 141.51 57.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.546 0.689 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.08 35.88 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.394 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 178.95 4.03 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.74 2.293 . . . . 0.0 112.367 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.8 m -146.87 170.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.8 14.96 70.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.621 HG12 ' HB2' ' A' ' 100' ' ' ALA . 57.9 t -57.9 99.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 111.124 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -123.38 147.75 46.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.582 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -110.46 107.47 17.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 t -86.86 105.32 16.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 ' N ' HD13 ' A' ' 19' ' ' ILE . 3.9 mm -66.49 117.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 24' ' ' THR . 24.8 mt -109.29 -41.88 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -149.73 -179.13 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -65.63 -25.36 67.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.802 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -132.88 27.36 4.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 20' ' ' LEU . 26.4 m -139.2 123.76 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 HG23 ' A' ' 104' ' ' THR . 61.0 mt -140.78 146.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -112.12 119.82 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.582 HD13 ' HA ' ' A' ' 17' ' ' ALA . 47.0 mm -108.62 99.58 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 69' ' ' SER . 72.6 p -108.43 132.72 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.3 p90 -134.32 -177.13 4.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' HA ' HD22 ' A' ' 68' ' ' LEU . . . -146.28 158.96 43.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' ASN . 25.2 t0 -129.35 92.01 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' ASP . 40.5 m-80 -36.73 -38.35 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -42.99 -47.88 5.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.0 mt -48.17 148.51 3.08 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.591 0.71 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -165.14 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -56.91 -29.31 62.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -108.45 119.49 39.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -65.82 96.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -145.11 126.77 15.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.0 mt -94.1 85.85 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 41' ' ' THR . 6.9 t -112.56 65.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -160.83 166.24 28.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.6 m -79.37 77.26 5.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -143.24 162.14 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -144.56 147.09 32.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -103.08 133.87 47.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.2 m -117.61 115.8 25.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.47 HG11 ' HD2' ' A' ' 70' ' ' TYR . 57.7 t -99.38 127.47 52.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' NH2' ' CG ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -116.88 145.85 43.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.0 p90 -145.92 154.52 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.1 OUTLIER -148.42 -175.97 5.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.828 HG22 ' CE1' ' A' ' 81' ' ' TYR . 76.3 p -121.36 147.49 45.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 t-20 -74.8 -41.07 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 58.2 mt -123.77 125.25 25.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.76 169.71 61.99 Favored 'Cis proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.359 -0.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.79 -46.69 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -83.45 106.26 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.0 p -152.74 133.77 14.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -52.2 169.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 10.0 m-85 -106.43 145.52 31.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -108.28 174.2 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.2 151.16 26.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -134.08 126.65 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -92.62 115.58 28.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.02 117.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 19.9 p -85.69 96.51 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.101 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.77 172.64 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.3 mt -94.79 17.96 12.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.496 ' HB3' HG22 ' A' ' 28' ' ' THR . 2.3 p -163.84 136.05 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.625 ' CE2' HG22 ' A' ' 72' ' ' VAL . 2.7 t80 -129.31 124.94 35.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -96.42 110.85 23.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.625 HG22 ' CE2' ' A' ' 70' ' ' TYR . 10.3 t -95.43 149.55 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 HG23 HD12 ' A' ' 71' ' ' LEU . 81.1 p -151.52 141.62 22.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 108.7 42.33 1.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mt -112.47 160.22 17.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -80.91 142.77 52.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.556 0.693 . . . . 0.0 110.883 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.53 63.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.232 . . . . 0.0 112.358 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 38.64 51.24 1.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.9 m -137.49 145.18 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.584 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -68.54 128.53 36.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.828 ' CE1' HG22 ' A' ' 52' ' ' THR . 21.6 m-85 -149.74 132.13 15.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.616 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.9 OUTLIER -120.35 173.62 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 82' ' ' GLU . 22.2 m-85 -152.11 143.96 23.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -134.96 145.67 48.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.582 HG21 ' CE3' ' A' ' 29' ' ' TRP . 9.3 t -122.89 141.19 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.575 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 18.1 ptm -142.01 147.83 37.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.516 HG22 ' CE ' ' A' ' 9' ' ' MET . 4.9 p -108.99 129.08 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 90' ' ' GLY . 31.6 m -137.96 132.48 32.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -114.89 38.02 3.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.651 ' H ' HG22 ' A' ' 88' ' ' THR . . . 103.45 -84.61 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -32.55 14.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 mmp_? -95.53 138.01 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 p -148.32 176.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 9' ' ' MET . 60.0 p -132.58 149.19 52.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.6 t -55.97 175.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.159 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.575 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 92.5 m95 -86.64 104.56 16.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 79.4 p -42.02 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 18.5 ptm -44.86 108.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.616 HG22 ' HB2' ' A' ' 82' ' ' GLU . 39.4 m -48.94 120.42 3.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.621 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -88.01 125.46 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.071 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -98.5 141.5 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -152.41 121.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.1 m -95.0 121.78 36.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.628 HG23 HD11 ' A' ' 25' ' ' ILE . 1.3 p -73.39 153.67 40.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -71.26 167.51 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.84 146.96 41.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' SER . 2.7 tt -83.0 84.56 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 107' ' ' LEU . 71.4 m 35.37 38.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.95 150.45 17.13 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.56 23.66 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.344 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 t -83.91 112.93 20.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.9 t -103.25 -50.0 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -153.75 133.33 12.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -44.52 149.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.66 155.74 52.77 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -105.03 139.78 39.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -79.63 120.82 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.02 -85.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.518 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 166.17 28.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.3 mmm -59.47 150.95 25.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.4 mmt -88.11 117.36 68.34 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.586 0.708 . . . . 0.0 110.857 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.34 19.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 176.46 6.73 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.8 m -145.79 170.98 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.17 24.32 76.67 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 100' ' ' ALA . 61.7 t -60.34 113.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -121.59 171.78 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.6 106.74 4.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -91.93 120.6 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' A' ' 105' ' ' PHE . 15.2 mm -87.91 90.26 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 24' ' ' THR . 22.1 mt -81.93 -40.44 22.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.28 172.07 16.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CE1' HD13 ' A' ' 107' ' ' LEU . 41.1 p-80 -60.42 -28.12 68.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -123.86 26.96 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.494 HG22 HD12 ' A' ' 20' ' ' LEU . 94.7 m -140.66 128.61 21.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.557 ' O ' HD22 ' A' ' 71' ' ' LEU . 55.5 mt -145.67 135.9 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -103.8 131.1 51.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.9 mm -120.73 105.78 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.2 p -114.89 130.45 56.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.6 p90 -132.74 178.61 6.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.65 139.74 47.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -116.84 90.84 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -48.18 -38.04 17.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.5 m -40.16 -43.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 mt -52.77 154.77 4.56 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.8 Cg_endo -69.73 -174.03 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.736 2.29 . . . . 0.0 112.371 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 35' ' ' PRO . 30.6 tttt -35.72 -50.34 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -96.89 173.13 7.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -103.23 77.79 1.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 40' ' ' ILE . 0.2 OUTLIER -123.74 92.64 3.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' N ' ' HE3' ' A' ' 39' ' ' LYS . 70.3 mt -64.63 85.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' THR . 5.9 t -117.26 72.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -165.9 179.94 5.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 t -92.34 70.93 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -139.08 128.75 24.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.481 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 10.2 p90 -112.55 142.99 44.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -98.71 128.88 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -112.05 114.34 27.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 70' ' ' TYR . 87.1 t -101.88 125.06 56.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' NH2' ' CE2' ' A' ' 60' ' ' TYR . 4.5 ptm180 -111.62 148.2 33.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -153.91 144.84 22.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -149.96 175.1 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.656 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 36.5 p -96.19 118.06 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -39.33 -39.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.607 HG23 ' HA ' ' A' ' 55' ' ' PRO . 33.1 mm -117.68 136.27 23.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.713 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.607 ' HA ' HG23 ' A' ' 54' ' ' ILE . 53.5 Cg_endo -69.75 148.13 86.07 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 -1.807 . . . . 0.0 112.365 -0.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . . . -36.44 -45.66 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.57 102.34 12.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 t -138.89 162.31 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 147.65 52.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CZ ' ' HG2' ' A' ' 51' ' ' LYS . 8.8 m-85 -102.64 132.39 48.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -101.42 147.26 26.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.82 145.78 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -128.63 -179.87 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -121.38 124.89 45.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.91 116.45 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -95.17 96.85 9.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 4.9 t -175.46 -177.35 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 6.8 mt -99.83 14.28 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 67' ' ' THR . 77.6 p -147.87 -174.99 4.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD2' HG21 ' A' ' 48' ' ' VAL . 4.6 t80 -174.09 127.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.557 HD22 ' O ' ' A' ' 25' ' ' ILE . 1.1 tm? -113.77 112.69 23.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.7 t -94.58 139.72 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.8 p -136.63 150.18 48.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.72 54.35 2.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.9 mt -118.12 160.56 21.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -79.59 139.36 54.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.556 0.693 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 156.21 64.03 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.671 2.247 . . . . 0.0 112.35 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 43.57 48.19 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 m -140.86 121.17 13.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 101' ' ' HIS . 50.7 tp -68.66 129.21 39.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.656 ' CZ ' HG22 ' A' ' 52' ' ' THR . 6.3 m-85 -122.52 163.18 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -111.1 150.73 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -148.15 130.12 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 m -146.92 143.61 28.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 10.2 t -118.09 140.94 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.572 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.3 ppp? -139.14 162.64 34.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.2 p -129.91 139.33 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 90' ' ' GLY . 15.8 m -136.63 140.9 43.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -121.81 49.36 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.516 ' H ' HG22 ' A' ' 88' ' ' THR . . . 91.9 -93.81 1.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.506 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -86.48 -37.43 18.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -87.5 149.74 24.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 95.2 p -161.94 164.89 28.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.838 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.9 p -116.72 167.15 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.8 t -76.37 -175.28 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.196 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.572 ' CE3' ' HB3' ' A' ' 86' ' ' MET . 81.1 m95 -86.06 115.1 23.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.7 p -56.18 168.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 19.6 ptm -42.46 122.49 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.2 m -72.53 118.64 15.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.193 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.53 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -86.02 114.23 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.708 ' HB3' HD11 ' A' ' 80' ' ' LEU . 31.5 m80 -91.08 116.83 29.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.52 129.21 6.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.498 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.1 m -99.61 120.4 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 52.0 p -67.05 160.7 26.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.429 ' CD2' HG22 ' A' ' 19' ' ' ILE . 35.5 m-85 -78.08 173.15 12.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -82.96 126.03 32.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.653 HD13 ' CE1' ' A' ' 22' ' ' HIS . 38.5 tp -91.38 -52.35 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 56.2 m -89.83 97.81 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.85 159.02 10.51 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 155.66 65.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 67.6 p -148.36 162.09 40.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 t -64.31 108.51 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.51 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -151.78 146.38 25.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 t -138.51 161.85 36.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.0 176.12 43.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -94.86 80.02 3.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.877 0.37 . . . . 0.0 110.821 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -174.94 157.97 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.78 67.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -172.11 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.6 ' HE3' HG13 ' A' ' 87' ' ' VAL . 16.4 mtm -43.27 134.54 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -85.03 141.82 38.03 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 169.99 17.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.339 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 177.39 5.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.379 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.4 m -140.1 -178.61 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.72 32.07 61.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.67 112.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -134.46 156.78 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -118.78 125.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -106.74 96.31 6.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.5 mm -61.89 121.19 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 24' ' ' THR . 46.0 mt -110.47 -36.64 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -159.68 -176.28 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -60.51 -36.81 79.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -124.11 35.46 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.568 HG22 HD12 ' A' ' 20' ' ' LEU . 3.1 m -142.02 121.09 12.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.628 HD11 ' CG2' ' A' ' 104' ' ' THR . 62.9 mt -145.73 135.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.663 ' HA ' HD22 ' A' ' 71' ' ' LEU . 29.2 ttp180 -100.93 127.24 47.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.823 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.5 mm -116.84 98.65 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.6 p -107.35 141.1 39.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE2' HG11 ' A' ' 85' ' ' VAL . 41.2 p90 -145.56 173.48 12.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.16 141.47 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' CB ' ' A' ' 33' ' ' SER . 7.3 t0 -110.73 86.17 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -47.46 -33.15 5.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' CB ' ' OD1' ' A' ' 31' ' ' ASP . 1.7 t -45.73 -47.85 15.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -36.96 153.77 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.627 0.727 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -175.02 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pmtp? -45.52 -25.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 39' ' ' LYS . 7.4 p-80 -122.34 115.19 21.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -60.46 93.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 4.9 tppt? -142.77 105.5 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' HG ' ' A' ' 68' ' ' LEU . 20.4 mt -70.52 114.58 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 42' ' ' ASP . 72.1 p -84.29 34.07 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 41' ' ' THR . 56.8 m-20 34.33 54.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 t -126.76 14.79 7.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -147.81 172.01 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.444 ' O ' ' CG ' ' A' ' 45' ' ' TYR . 4.4 p90 -139.01 125.26 20.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 87' ' ' VAL . 39.2 m-85 -91.54 152.13 20.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 m -131.7 108.55 9.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 84' ' ' SER . 71.8 t -99.58 122.36 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.168 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -106.75 154.5 20.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.476 ' CE2' ' HD3' ' A' ' 61' ' ' LYS . 25.1 p90 -157.61 154.29 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 15.4 ptmt -161.67 159.17 27.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 t -105.32 153.81 21.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -83.43 2.84 34.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 38.1 mm -130.17 120.76 19.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.401 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.5 Cg_endo -69.75 -164.29 2.51 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.371 -0.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.44 36.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -175.02 109.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.2 p -149.21 147.52 28.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.71 167.32 15.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.586 ' CE1' ' HD2' ' A' ' 51' ' ' LYS . 6.2 m-85 -94.72 119.27 33.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.476 ' HD3' ' CE2' ' A' ' 50' ' ' TRP . 19.0 mtpp -82.69 173.18 12.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -156.73 150.08 24.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.71 140.36 50.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -103.07 114.82 29.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.42 128.14 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 31.8 p -95.35 96.18 8.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -176.13 172.4 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 40' ' ' ILE . 15.3 mt -94.17 24.0 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.0 t -164.11 172.28 13.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.7 130.27 1.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.4 OUTLIER -102.74 91.03 4.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.9 t -72.05 129.83 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 56.2 p -136.05 159.89 40.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.06 37.53 5.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.45 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' CD1' HD12 ' A' ' 25' ' ' ILE . 5.7 mt -109.6 155.29 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.28 150.43 89.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.912 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 145.95 58.35 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.352 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 40.44 49.45 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.1 m -125.8 135.2 51.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.638 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -66.8 131.02 45.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.638 ' N ' HD13 ' A' ' 80' ' ' LEU . 14.4 m-85 -141.43 151.97 43.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -108.4 158.46 17.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -150.18 131.54 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.641 ' O ' HG13 ' A' ' 48' ' ' VAL . 22.4 m -143.61 163.43 33.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.754 HG11 ' CE2' ' A' ' 29' ' ' TRP . 14.2 t -143.6 130.1 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 24.5 ptm -137.93 151.69 48.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.6 HG13 ' HE3' ' A' ' 9' ' ' MET . 8.0 p -114.79 142.65 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 92' ' ' ARG . 88.3 m -138.0 132.3 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 15.7 ttpp -172.07 152.74 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 89' ' ' LYS . . . 60.59 54.19 39.12 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 47.7 27.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 88' ' ' THR . 5.5 mmm180 -134.5 168.29 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -152.39 164.4 37.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' MET . 59.5 p -119.52 149.03 42.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.7 t -57.48 175.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -81.96 130.59 35.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.2 p -68.8 170.87 8.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 ptp -46.58 126.27 8.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 m -76.02 105.73 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.12 119.72 27.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -91.81 125.63 36.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -129.97 116.98 2.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.511 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 69.4 m -95.49 105.09 17.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.805 0.336 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.628 ' CG2' HD11 ' A' ' 25' ' ' ILE . 17.6 p -53.69 167.15 0.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -84.04 164.62 19.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.22 145.98 45.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -87.51 -63.57 1.28 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 36.7 m -134.53 142.72 47.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 173.95 -166.76 39.03 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 168.55 21.19 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 m -143.97 161.13 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.3 p -112.52 173.67 6.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -108.21 97.79 7.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -47.62 -49.95 25.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.64 -70.34 0.71 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 t -100.17 155.61 17.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.36 141.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.64 -99.87 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 134.63 28.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.48 ' O ' ' CB ' ' A' ' 94' ' ' SER . 16.3 mmm -43.55 152.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.36 121.38 73.73 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 169.89 17.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 171.57 14.2 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.378 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 30' ' ' ALA . 19.0 m -135.83 -179.1 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.77 18.1 30.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.88 105.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -128.71 155.68 44.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB1' HG21 ' A' ' 25' ' ' ILE . . . -126.34 121.25 32.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.522 ' O ' HG23 ' A' ' 25' ' ' ILE . 1.4 t -100.76 139.84 35.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HG22 ' CE2' ' A' ' 105' ' ' PHE . 30.0 mm -85.26 104.14 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 20' ' ' LEU . 5.9 mp -100.02 -34.56 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -158.95 170.35 22.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.938 ' CD2' HD11 ' A' ' 107' ' ' LEU . 56.4 p-80 -53.01 -31.52 41.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -128.93 20.21 5.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 m -125.84 127.54 46.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.682 HD11 ' CG2' ' A' ' 104' ' ' THR . 95.8 mt -148.14 131.97 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.55 129.06 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mm -119.42 106.52 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.9 p -120.35 143.19 48.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.46 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.0 p90 -143.34 177.9 8.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -128.75 179.2 5.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.41 ' HB3' HD12 ' A' ' 34' ' ' LEU . 13.2 t70 -143.04 122.1 12.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -76.8 -42.6 40.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 t -39.72 -37.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 31' ' ' ASP . 34.3 mt -77.67 147.98 75.61 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.547 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.9 Cg_endo -69.73 -178.58 2.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -38.28 -36.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.547 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 17.4 p80 -96.48 107.82 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -70.43 94.2 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -136.67 111.34 8.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.98 119.49 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.9 p -134.15 65.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -164.43 -177.75 5.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.0 m -108.44 61.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -116.44 168.08 10.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 42.4 p90 -137.93 149.6 46.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -106.86 143.02 35.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.0 m -124.8 127.41 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.56 111.56 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 96' ' ' TRP . 5.9 ptm180 -98.36 155.86 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 47.0 p90 -152.77 145.89 24.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HG2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -158.59 168.48 26.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.51 ' HB ' ' CZ ' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -117.78 155.17 30.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -75.44 0.99 15.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.4 mm -136.52 125.0 15.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 111.078 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.9 Cg_endo -69.75 -164.23 2.48 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.395 -0.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.8 -63.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -102.22 131.91 48.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 55' ' ' PRO . 24.9 p -146.19 165.26 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.2 mtmt -80.07 118.15 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HG2' ' A' ' 51' ' ' LYS . 11.0 m-85 -63.48 124.83 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -78.69 170.37 16.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -161.58 144.96 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.91 166.29 17.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -131.1 112.75 13.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.45 116.45 1.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 p -82.27 96.65 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -175.06 171.52 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.446 ' N ' ' OG1' ' A' ' 67' ' ' THR . 19.3 mt -94.25 28.7 2.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.5 p -165.63 166.04 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -170.22 138.46 1.63 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.2 tp -112.84 110.47 20.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 ' CD2' ' A' ' 83' ' ' PHE . 2.1 t -75.41 152.81 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.7 p -156.13 140.65 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.19 33.13 3.78 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mt -101.29 156.52 17.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.935 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.471 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.0 ttpp -82.07 140.02 46.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.852 ' HG3' HD12 ' A' ' 107' ' ' LEU . 53.9 Cg_endo -69.68 150.46 68.72 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.661 2.241 . . . . 0.0 112.376 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 46.24 54.51 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.3 m -147.82 139.9 24.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.68 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -64.16 133.9 53.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.918 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.68 ' N ' HD13 ' A' ' 80' ' ' LEU . 15.0 m-85 -151.49 140.29 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.786 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -120.64 163.07 18.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.57 ' CD2' HG21 ' A' ' 72' ' ' VAL . 33.1 m-85 -142.28 143.46 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.8 t -141.3 161.41 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG21 ' CE3' ' A' ' 29' ' ' TRP . 14.6 t -134.35 144.49 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.564 ' HB3' ' CE3' ' A' ' 96' ' ' TRP . 2.4 ppp? -143.34 164.01 31.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.584 HG12 ' OG ' ' A' ' 94' ' ' SER . 7.1 p -128.85 144.88 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.416 HG23 ' OG ' ' A' ' 93' ' ' SER . 88.8 m -135.16 118.69 16.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -100.9 56.1 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.02 -92.99 1.67 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -91.18 -19.78 22.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -100.83 159.71 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.418 ' C ' ' HB2' ' A' ' 9' ' ' MET . 20.3 m -162.48 157.96 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.584 ' OG ' HG12 ' A' ' 87' ' ' VAL . 99.2 p -110.81 151.18 28.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 t -61.11 172.91 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.161 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 49' ' ' ARG . 77.1 m95 -79.29 119.53 22.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.3 p -56.95 167.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.8 ptm -46.47 120.42 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.786 HG22 ' HB2' ' A' ' 82' ' ' GLU . 0.5 OUTLIER -61.52 117.26 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.42 118.29 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 59.8 m80 -92.32 137.94 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -149.27 127.53 2.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.6 m -95.34 118.36 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.165 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.682 ' CG2' HD11 ' A' ' 25' ' ' ILE . 34.7 p -76.95 157.91 31.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CE2' HG22 ' A' ' 19' ' ' ILE . 24.0 m-85 -68.82 152.58 45.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.54 146.95 40.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 22' ' ' HIS . 11.4 mt -98.2 -44.85 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.8 t -50.34 -52.61 35.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.27 176.67 15.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.3 m -77.75 -57.7 3.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.4 m -105.43 155.18 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.457 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -123.16 125.79 45.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.845 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 m -72.21 -58.1 3.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.39 44.07 23.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.518 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 m -143.49 166.32 25.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.5 m -74.23 -49.71 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.01 88.31 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -178.08 2.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 94' ' ' SER . 82.1 mtp -77.78 144.1 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 144.62 30.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.702 . . . . 0.0 110.859 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 168.35 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.349 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.0 5.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 32' ' ' ASN . 26.9 m -138.91 -177.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.84 23.31 37.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.43 110.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.308 . . . . 0.0 111.166 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -129.92 171.74 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.53 110.62 6.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.079 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 m -103.6 106.25 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.62 123.02 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -105.3 -46.99 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.4 m -137.19 179.02 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.5 p-80 -66.97 -23.0 65.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -131.7 25.13 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.4 m -135.01 143.72 46.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.417 HD12 HD13 ' A' ' 75' ' ' LEU . 42.3 mt -151.03 141.04 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' HD22 ' A' ' 71' ' ' LEU . 14.4 ttt85 -105.47 125.79 51.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.7 mm -117.9 114.08 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.2 p -128.64 139.14 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 49.4 p90 -138.94 171.95 13.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.68 158.88 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' OD1' HD21 ' A' ' 68' ' ' LEU . 4.7 p-10 -117.86 148.17 42.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.422 HD21 HG21 ' A' ' 13' ' ' VAL . 2.3 m-80 -116.49 25.84 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 m -113.56 -58.45 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 HD12 ' OD1' ' A' ' 31' ' ' ASP . 71.7 mt -40.16 145.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 53.8 Cg_endo -69.74 -167.75 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -49.3 -22.18 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 15.9 p80 -113.74 103.98 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' NE2' ' OD1' ' A' ' 31' ' ' ASP . 3.0 mt-30 -67.77 96.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -142.91 115.43 8.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.4 mt -80.39 116.01 23.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.5 p -83.33 36.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.17 25.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.837 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 m -90.09 -23.88 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -121.27 159.84 25.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' HA ' HG22 ' A' ' 66' ' ' THR . 8.4 p90 -135.5 126.41 27.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -89.7 145.8 24.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' ALA . 59.0 m -125.18 120.6 31.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.178 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.447 HG22 HG13 ' A' ' 85' ' ' VAL . 30.4 t -106.19 130.66 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 16.0 ptt180 -114.65 155.45 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -160.36 138.95 10.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.519 ' HG2' ' CE2' ' A' ' 60' ' ' TYR . 1.5 pptp? -147.88 163.8 35.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 81' ' ' TYR . 34.1 p -92.38 124.07 36.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.56 -30.74 67.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.468 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 75.6 mt -131.79 124.33 19.72 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.684 0.754 . . . . 0.0 111.115 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 58' ' ' THR . 53.4 Cg_endo -69.8 -165.3 2.87 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 -1.797 . . . . 0.0 112.29 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -103.45 -31.2 10.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' THR . 14.3 t30 -56.38 -32.88 65.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.759 HG23 ' HG2' ' A' ' 55' ' ' PRO . 25.8 p -37.45 145.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -86.95 170.04 11.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.519 ' CE2' ' HG2' ' A' ' 51' ' ' LYS . 17.8 m-85 -96.78 137.16 36.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -111.39 156.61 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -151.92 146.68 25.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.611 ' O ' HG23 ' A' ' 47' ' ' THR . . . -119.23 -178.39 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.43 124.76 24.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.11 125.12 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.042 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.627 HG22 ' HA ' ' A' ' 45' ' ' TYR . 66.1 p -89.53 96.61 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.499 HG23 ' O ' ' A' ' 69' ' ' SER . 2.1 t -174.99 175.39 2.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD21 ' OD1' ' A' ' 31' ' ' ASP . 8.9 mt -96.68 24.18 6.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 67' ' ' THR . 54.7 p -164.83 -175.81 3.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -174.99 140.63 0.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 26' ' ' ARG . 0.5 OUTLIER -115.75 106.31 13.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.46 141.01 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.2 p -143.03 169.88 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 34.87 24.06 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.417 HD13 HD12 ' A' ' 25' ' ' ILE . 8.3 mt -98.92 165.29 11.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.889 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -92.85 140.13 23.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.913 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 156.47 63.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.262 . . . . 0.0 112.358 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.0 t30 45.18 53.64 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.0 m -153.6 113.76 3.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.15 134.64 56.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 52' ' ' THR . 13.7 m-85 -129.61 146.33 51.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 83' ' ' PHE . 1.4 tm-20 -104.89 146.91 28.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.411 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 88.0 m-85 -143.54 144.17 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 t -152.75 154.86 36.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.447 HG13 HG22 ' A' ' 48' ' ' VAL . 2.0 t -131.12 145.9 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.471 ' HG2' ' CZ3' ' A' ' 96' ' ' TRP . 26.4 ptm -145.12 162.18 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.5 p -120.51 138.1 52.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.453 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 90.3 m -132.26 136.93 47.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -145.22 151.63 38.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 47.52 -101.72 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -131.71 10.58 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.815 0.341 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -117.65 179.5 4.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.4 p -166.76 -177.03 3.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 9' ' ' MET . 95.0 p -127.13 152.04 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.5 t -55.02 173.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.519 ' CZ3' ' HG2' ' A' ' 49' ' ' ARG . 80.9 m95 -79.12 118.13 20.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.8 p -49.49 171.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.4 ptp -52.08 127.21 20.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -64.97 117.18 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.74 118.2 32.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -90.97 136.44 33.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.39 113.73 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.3 m -93.65 122.24 35.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 111.156 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.0 p -70.73 155.04 41.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -72.39 144.31 48.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 pm0 -54.4 156.05 3.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 22' ' ' HIS . 21.0 tp -128.54 -62.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 t -55.61 174.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -77.24 -153.21 5.5 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -11.51 30.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.5 p -169.64 161.31 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 t -80.7 119.38 23.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -157.46 147.93 21.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.815 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -161.38 141.07 10.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.42 60.59 1.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.5 p -149.57 114.5 5.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 m -39.53 123.71 1.52 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.45 -158.49 11.76 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 175.95 7.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.366 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.478 ' HE1' HG22 ' A' ' 87' ' ' VAL . 50.6 mtp -43.09 154.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.74 115.7 48.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.558 0.694 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.64 33.75 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.382 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' CG ' ' O ' ' A' ' 85' ' ' VAL . 53.6 Cg_endo -69.76 119.18 6.17 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 30' ' ' ALA . 26.0 m -96.27 -179.34 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 50.95 33.62 29.15 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.519 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 29' ' ' TRP . 98.9 t -74.64 119.24 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 111.149 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -138.05 174.61 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.75 145.36 49.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -121.42 100.39 7.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 HG22 ' CE2' ' A' ' 105' ' ' PHE . 28.7 mm -67.02 108.32 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 mt -106.32 -38.31 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.52 171.59 15.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -55.44 -27.29 47.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -134.95 34.69 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.484 HG23 HD21 ' A' ' 71' ' ' LEU . 6.3 m -139.68 124.64 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.564 HD12 ' CD1' ' A' ' 75' ' ' LEU . 51.9 mt -143.91 137.1 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.1 ttp180 -102.48 108.67 20.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 70' ' ' TYR . 34.4 mm -93.29 104.02 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.5 p -108.88 149.23 29.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.193 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.763 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.7 p90 -150.68 176.42 11.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.557 ' O ' HG22 ' A' ' 13' ' ' VAL . . . -136.8 131.09 32.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -99.32 136.22 39.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.94 -34.85 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -42.48 -49.39 5.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD11 ' NH2' ' A' ' 44' ' ' ARG . 84.1 mt -50.15 153.79 2.27 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 0.0 110.894 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.487 ' HG2' ' CD2' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -165.49 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -48.06 -48.67 33.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.487 ' CD2' ' HG2' ' A' ' 35' ' ' PRO . 25.6 p80 -73.48 154.35 39.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' HG3' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tp60 -86.11 -37.67 18.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 38' ' ' GLN . 6.0 mmmm -35.53 143.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.428 ' O ' HG22 ' A' ' 40' ' ' ILE . 48.0 mt -93.92 82.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.2 p -84.07 39.12 0.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -140.24 171.62 13.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.9 m -110.64 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.588 ' NH2' HD11 ' A' ' 34' ' ' LEU . 21.8 ptt180 -132.98 173.79 11.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -141.14 138.05 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -95.27 158.95 15.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 m -138.37 109.75 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.64 119.0 45.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.3 ptt85 -106.79 161.86 14.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -167.51 148.43 5.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -138.95 -179.74 6.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.589 HG22 ' CE2' ' A' ' 81' ' ' TYR . 27.3 p -119.2 138.08 53.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.11 -29.62 70.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.517 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 10.7 mm -127.55 131.05 23.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.665 0.745 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.3 Cg_endo -69.81 -162.96 2.07 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.312 -0.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' ' C ' ' A' ' 57' ' ' ASN . . . -48.75 -179.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.486 ' C ' ' O ' ' A' ' 56' ' ' ALA . 29.2 m120 -30.74 95.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 56' ' ' ALA . 7.9 m -90.81 155.34 18.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -42.91 147.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -95.44 140.25 30.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -104.95 177.27 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -153.57 161.34 42.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.69 179.4 6.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -142.5 110.13 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -161.29 115.36 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 34.4 p -83.1 96.35 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.1 OUTLIER -175.67 172.76 2.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 38' ' ' GLN . 13.1 mt -96.5 18.49 13.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.8 p -163.42 125.63 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 27' ' ' ILE . 48.2 t80 -128.8 152.29 48.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.484 HD21 HG23 ' A' ' 24' ' ' THR . 6.8 tt -118.67 114.41 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.2 t -79.67 132.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.2 p -127.75 171.49 11.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.84 58.44 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.564 ' CD1' HD12 ' A' ' 25' ' ' ILE . 69.0 mt -119.56 173.36 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.889 0.376 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -104.86 142.08 23.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 110.935 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 154.1 68.11 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.728 2.286 . . . . 0.0 112.351 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.0 t30 44.22 52.54 7.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.3 m -148.45 142.64 26.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 tp -82.14 138.75 34.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.589 ' CE2' HG22 ' A' ' 52' ' ' THR . 19.8 m-85 -132.55 155.07 49.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.67 146.65 30.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -137.88 134.03 34.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.1 m -152.76 125.96 8.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.763 HG21 ' CE3' ' A' ' 29' ' ' TRP . 7.0 t -109.26 137.3 42.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 19.1 ptm -141.79 153.16 44.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG22 ' HE1' ' A' ' 9' ' ' MET . 8.7 p -113.11 141.24 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 92' ' ' ARG . 84.0 m -134.71 138.86 44.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -120.32 74.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.8 -86.85 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -90.98 -37.69 13.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.674 ' O ' HG23 ' A' ' 88' ' ' THR . 27.6 mmt180 -73.32 168.08 19.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.3 p -170.61 140.99 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.5 p -101.42 155.61 17.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 t -66.26 163.02 18.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.165 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -71.63 117.65 13.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 76.6 p -56.98 170.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 20.7 ptm -47.71 135.89 11.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.7 m -79.37 105.42 10.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.34 123.77 31.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -96.93 131.89 43.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -136.66 113.83 1.09 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.9 m -92.58 114.72 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.181 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 25' ' ' ILE . 62.3 p -71.72 165.14 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CE2' HG22 ' A' ' 19' ' ' ILE . 64.3 m-85 -75.3 170.42 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -81.04 146.2 30.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 50.9 tp -108.62 90.55 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 t 61.61 37.52 16.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.59 174.96 48.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -7.17 20.37 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.32 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.0 m -131.0 126.29 35.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.0 t -131.06 -60.05 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -156.5 161.17 40.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -64.46 -47.14 80.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.43 130.78 2.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.526 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -139.96 151.09 45.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.884 0.373 . . . . 0.0 110.826 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.1 p -73.4 172.67 10.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.68 141.41 12.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.344 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.484 ' CE ' ' HB2' ' A' ' 89' ' ' LYS . 55.9 mtp -42.11 159.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.64 142.11 24.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 110.853 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 165.11 32.15 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -179.09 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.303 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.0 m -140.14 -178.87 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.01 20.44 41.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.4 t -63.85 107.59 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.838 0.352 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -132.28 162.04 31.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -132.9 105.6 7.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.088 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 m -89.96 114.03 25.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.5 mm -70.99 97.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.1 mt -87.82 -43.07 12.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -144.24 -175.86 4.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -67.35 -31.97 72.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.55 27.64 5.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.433 ' C ' HG13 ' A' ' 25' ' ' ILE . 2.9 m -137.87 130.97 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.473 HD12 ' CD1' ' A' ' 75' ' ' LEU . 67.7 mt -146.79 134.98 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HA ' HD13 ' A' ' 71' ' ' LEU . 31.7 ttt180 -91.65 112.08 23.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 17' ' ' ALA . 50.9 mm -107.07 98.28 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.6 p -116.33 140.0 49.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.43 ' CE3' HG21 ' A' ' 85' ' ' VAL . 49.2 p90 -135.89 -176.58 4.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -137.25 164.6 28.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -133.07 130.13 38.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -97.51 -33.71 11.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -47.35 -52.63 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.9 mt -45.44 153.37 0.58 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.75 -177.71 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 35' ' ' PRO . 15.0 mtpp -36.37 -67.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.404 ' ND1' ' O ' ' A' ' 37' ' ' HIS . 13.2 p80 -69.3 136.18 51.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -84.22 75.99 10.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HG3' HG23 ' A' ' 41' ' ' THR . 23.5 tptt -118.02 119.69 35.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.95 HD13 HH21 ' A' ' 44' ' ' ARG . 81.6 mt -83.56 90.62 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.545 HG23 ' HG3' ' A' ' 39' ' ' LYS . 26.6 p -133.42 41.91 3.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' SER . 34.0 t70 -113.01 28.76 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 46.8 t 36.3 40.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.95 HH21 HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -109.16 161.16 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.672 ' HA ' HG22 ' A' ' 66' ' ' THR . 30.2 p90 -132.43 145.92 51.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.666 ' CD2' ' NH1' ' A' ' 44' ' ' ARG . 5.3 m-85 -94.77 147.59 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.7 m -131.96 98.55 4.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.164 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 85' ' ' VAL . 58.1 t -93.6 126.99 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.644 ' NH2' ' CD1' ' A' ' 60' ' ' TYR . 5.7 ptm180 -109.78 159.95 16.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.7 p90 -163.18 142.48 8.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.597 ' HD2' ' CE1' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -142.27 -176.8 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.493 HG22 ' CE1' ' A' ' 81' ' ' TYR . 42.5 p -115.54 117.69 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -47.45 -35.73 8.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 69.4 mt -120.29 124.46 27.72 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.639 0.733 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.454 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.79 -174.04 9.15 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.34 -0.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.2 -59.42 2.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -78.7 116.55 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.76 129.14 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -44.12 155.88 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.644 ' CD1' ' NH2' ' A' ' 49' ' ' ARG . 11.2 m-85 -98.16 137.2 37.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -100.67 166.12 11.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.22 165.0 32.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.54 -177.06 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.139 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -140.89 116.81 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -160.86 115.06 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.672 HG22 ' HA ' ' A' ' 45' ' ' TYR . 41.8 p -83.36 96.64 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 ' N ' HH22 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -175.53 170.26 2.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' OG1' ' A' ' 67' ' ' THR . 10.6 mt -92.75 19.92 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -160.58 161.17 32.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -168.95 135.02 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 26' ' ' ARG . 2.1 mm? -103.27 108.76 20.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.2 t -79.97 110.52 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 35.5 p -114.79 161.74 17.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 86.68 50.72 3.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.478 HD22 ' CD1' ' A' ' 81' ' ' TYR . 12.5 mt -119.51 154.48 33.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.477 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 ttmt -83.73 140.02 40.76 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.563 0.696 . . . . 0.0 110.899 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 76' ' ' LYS . 54.0 Cg_endo -69.75 146.74 61.14 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 55.79 53.77 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.5 m -149.69 138.5 20.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.727 HD13 ' N ' ' A' ' 81' ' ' TYR . 0.4 OUTLIER -76.87 124.21 27.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.727 ' N ' HD13 ' A' ' 80' ' ' LEU . 17.6 m-85 -120.15 154.24 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.552 ' O ' ' CD1' ' A' ' 83' ' ' PHE . 21.0 mt-10 -105.63 157.3 17.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.552 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 35.6 m-85 -149.13 123.75 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.2 m -146.57 132.74 19.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' ' 29' ' ' TRP . 5.5 t -112.57 131.66 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 96' ' ' TRP . 1.8 ppp? -130.02 150.58 51.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.484 HG22 ' HE1' ' A' ' 9' ' ' MET . 7.3 p -110.55 148.47 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 92' ' ' ARG . 39.6 m -131.82 143.94 50.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.484 ' HB2' ' CE ' ' A' ' 9' ' ' MET . 24.1 ttpt -136.5 168.2 19.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' LYS . . . -36.23 95.21 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 89' ' ' LYS . 86.2 mtt180 61.59 47.76 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.0 110.894 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.704 ' O ' HG23 ' A' ' 88' ' ' THR . 31.9 mtt-85 -152.14 163.65 38.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.2 p -162.97 150.93 13.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.5 p -111.44 167.07 10.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -73.58 168.19 19.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 86' ' ' MET . 57.9 m95 -77.2 105.85 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 73.2 p -45.45 167.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 4.4 ptp -45.16 111.28 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -61.24 106.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.62 120.32 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -93.17 130.63 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.21 121.4 3.34 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.8 m -94.91 112.82 24.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.43 HG23 HD11 ' A' ' 25' ' ' ILE . 5.1 p -68.18 167.02 15.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -86.49 172.39 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -82.09 128.23 33.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.67 -54.21 45.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.8 t -102.01 131.66 48.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -145.59 -71.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -9.44 26.12 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.8 t -104.2 87.17 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.3 t -61.52 101.77 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.2 p -45.31 138.1 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.879 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -75.8 131.3 39.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.34 175.27 15.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -70.21 -63.51 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -111.48 114.74 28.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.02 145.81 15.91 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -178.7 2.47 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 37.5 mmm -43.91 142.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.42 120.69 71.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 166.34 27.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.375 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 179.12 3.95 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.75 2.3 . . . . 0.0 112.288 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.8 m -140.87 -175.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 52.7 29.08 32.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG21 ' OG ' ' A' ' 97' ' ' SER . 47.8 t -69.5 104.51 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.167 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -128.29 168.37 15.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.5 137.26 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -108.78 107.65 18.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.826 HG22 ' CE2' ' A' ' 105' ' ' PHE . 29.8 mm -75.27 99.04 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.8 mt -96.94 -39.33 9.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.9 m -145.5 -177.02 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.7 p-80 -66.48 -31.02 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 75' ' ' LEU . 78.2 m-20 -130.39 32.16 4.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.6 m -138.29 124.0 19.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.671 HD11 HG23 ' A' ' 104' ' ' THR . 73.5 mt -146.61 137.17 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.472 HH11 HD12 ' A' ' 71' ' ' LEU . 44.5 ttt85 -103.54 117.39 34.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 mm -100.23 105.13 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -111.54 141.06 45.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' CE2' HG11 ' A' ' 85' ' ' VAL . 48.7 p90 -144.02 177.95 8.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.97 147.82 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -119.12 95.56 4.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' SER . 79.2 m-20 -41.28 -50.46 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' ASN . 23.2 t -38.43 -46.52 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 68' ' ' LEU . 63.2 mt -49.33 154.51 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.588 0.709 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.238 . . . . 0.0 112.34 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.3 -44.0 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -84.05 23.83 1.0 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 37' ' ' HIS . 24.3 mm100 33.02 36.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -80.47 116.04 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.39 98.02 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.6 p -81.23 -30.25 34.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -97.39 142.46 29.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.2 t -92.01 72.89 5.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -102.63 160.0 14.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.725 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.1 p90 -112.37 124.33 52.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -87.03 137.8 32.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.0 m -118.48 113.52 21.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 84' ' ' SER . 57.6 t -106.46 112.36 39.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -100.68 144.02 30.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 61' ' ' LYS . 40.3 p90 -146.05 154.77 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 10.0 pttm -161.99 178.35 8.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.631 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 41.4 p -103.75 147.48 27.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.426 ' HB2' HD12 ' A' ' 80' ' ' LEU . 4.9 t-20 -79.08 -12.99 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 59.1 mt -143.56 123.01 7.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.584 0.707 . . . . 0.0 111.144 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.509 ' O ' HG23 ' A' ' 58' ' ' THR . 54.1 Cg_endo -69.76 162.45 84.09 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 -1.801 . . . . 0.0 112.36 -0.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -51.61 -51.96 51.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -90.46 104.7 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' PRO . 35.5 p -134.66 175.32 9.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -76.79 144.85 38.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.542 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 7.9 m-85 -98.29 122.14 41.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 41.9 mttt -109.97 128.11 55.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.93 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -116.73 167.29 11.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.52 133.93 31.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.33 115.8 29.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.64 117.82 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.725 HG22 ' HA ' ' A' ' 45' ' ' TYR . 25.9 p -86.37 96.71 10.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.773 HG23 ' H ' ' A' ' 69' ' ' SER . 13.7 t -175.51 -175.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 34' ' ' LEU . 42.3 mt -112.92 28.15 9.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.773 ' H ' HG23 ' A' ' 67' ' ' THR . 3.3 p -166.75 115.23 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -125.63 129.28 49.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.472 HD12 HH11 ' A' ' 26' ' ' ARG . 3.2 tt -104.04 116.26 31.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 t -79.21 134.35 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.2 p -136.03 149.96 49.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 85.39 56.22 2.44 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 23' ' ' ASP . 9.8 mt -117.47 -174.98 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.389 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -110.17 141.72 24.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 154.96 67.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 39.17 51.12 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.3 m -142.05 127.13 18.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.47 132.83 49.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.631 ' CE1' ' CG2' ' A' ' 52' ' ' THR . 13.0 m-85 -131.9 163.88 27.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HG3' HG23 ' A' ' 99' ' ' THR . 7.7 tt0 -113.49 147.29 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.472 ' CD1' ' O ' ' A' ' 82' ' ' GLU . 27.9 m-85 -143.5 130.18 20.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.612 ' O ' HG13 ' A' ' 48' ' ' VAL . 1.0 OUTLIER -149.03 162.21 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.525 HG11 ' CE2' ' A' ' 29' ' ' TRP . 2.8 t -139.48 135.77 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.581 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 20.6 ptm -142.58 149.64 39.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG23 ' HG3' ' A' ' 44' ' ' ARG . 7.7 p -109.98 148.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.42 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 96.0 m -136.73 126.01 24.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -108.91 58.8 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.06 -95.27 1.63 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -87.25 -29.42 21.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -87.54 152.79 21.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 p -148.21 163.18 37.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.6 p -120.67 136.65 54.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 15.3 t -52.77 171.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.12 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.581 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 96.5 m95 -79.94 119.83 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.427 ' OG ' HG21 ' A' ' 15' ' ' VAL . 86.4 p -64.4 172.06 2.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.811 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.4 ptp -45.92 124.92 5.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.561 HG23 ' HG3' ' A' ' 82' ' ' GLU . 98.6 m -74.75 119.92 19.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.24 116.61 26.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -90.95 116.22 28.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.35 113.29 1.78 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -90.79 114.32 26.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.172 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.671 HG23 HD11 ' A' ' 25' ' ' ILE . 1.8 p -67.03 165.34 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.826 ' CE2' HG22 ' A' ' 19' ' ' ILE . 63.1 m-85 -79.16 165.25 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -78.11 138.7 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.0 tp -108.98 -54.01 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 27.0 t -93.49 144.91 24.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -165.62 -94.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 136.3 32.58 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.654 2.236 . . . . 0.0 112.328 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.6 t -159.0 121.14 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 14.4 m -56.39 135.73 53.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 t -83.13 138.23 33.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -152.73 141.52 21.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.96 157.8 23.1 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.526 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 m -107.54 82.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 p -162.86 141.61 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.96 66.21 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.434 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -174.76 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.682 2.255 . . . . 0.0 112.403 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' A' ' 94' ' ' SER . 76.2 mtp -64.55 149.0 49.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.33 143.87 28.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 163.51 37.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.718 2.279 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.559 ' HG3' HG12 ' A' ' 85' ' ' VAL . 53.5 Cg_endo -69.8 122.26 8.93 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.4 m -87.82 -178.36 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 54.13 34.71 53.32 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.15 98.43 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.767 0.318 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -128.19 162.23 27.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.45 ' HB1' ' CG2' ' A' ' 25' ' ' ILE . . . -122.26 130.75 53.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.1 m -104.8 107.84 19.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 105' ' ' PHE . 23.4 mm -68.55 107.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.19 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 24' ' ' THR . 16.4 mt -101.06 -46.0 5.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.8 m -144.34 -175.28 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.472 ' CD2' ' HG ' ' A' ' 107' ' ' LEU . 34.3 p-80 -64.04 -31.35 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD1' ' C ' ' A' ' 22' ' ' HIS . 7.0 m-20 -130.61 37.1 3.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 20' ' ' LEU . 5.5 m -140.76 124.64 17.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CG2' ' HB1' ' A' ' 17' ' ' ALA . 70.0 mt -146.44 128.9 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -98.47 118.59 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.2 mm -101.59 109.53 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.1 p -113.65 140.28 48.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.603 ' CE3' HG21 ' A' ' 85' ' ' VAL . 46.1 p90 -143.19 173.92 11.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.4 151.01 49.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 33' ' ' SER . 30.6 t0 -122.26 87.46 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -37.49 -31.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.853 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 31' ' ' ASP . 8.5 t -54.44 -48.81 71.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.5 mt -54.84 150.85 17.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.614 0.721 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.596 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 54.0 Cg_endo -69.73 -178.82 2.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.637 2.225 . . . . 0.0 112.379 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 37' ' ' HIS . 0.0 OUTLIER -44.14 -28.03 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.596 ' CE1' ' HG2' ' A' ' 35' ' ' PRO . 21.1 p80 -98.02 147.16 24.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -90.97 83.97 5.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 28.9 mmtt -146.78 120.41 9.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.28 108.81 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -116.27 34.94 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -121.73 172.25 8.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.7 m -99.21 46.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -107.6 164.54 12.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' HB ' ' A' ' 88' ' ' THR . 9.8 p90 -131.83 144.61 51.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -102.35 128.3 48.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.7 m -109.95 114.38 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 HG22 ' A' ' 85' ' ' VAL . 92.0 t -105.65 114.66 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.58 ' HD2' ' CZ3' ' A' ' 96' ' ' TRP . 5.9 ptm180 -101.22 140.78 35.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.436 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 25.6 p90 -148.43 144.2 27.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.4 ptpp? -141.12 -176.17 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.539 HG22 ' CE2' ' A' ' 81' ' ' TYR . 43.8 p -105.35 114.19 28.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.471 ' ND2' ' HG ' ' A' ' 80' ' ' LEU . 7.2 m-80 -47.69 -38.88 16.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' HA ' ' C ' ' A' ' 55' ' ' PRO . 81.0 mt -129.12 123.85 21.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 54.0 Cg_endo -69.75 -173.26 8.26 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -96.33 164.98 12.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 52.19 45.86 27.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' LYS . 17.8 p -91.11 143.16 26.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 58' ' ' THR . 20.6 tttt -34.47 142.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.873 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 51' ' ' LYS . 9.6 m-85 -90.92 155.66 18.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -139.43 124.8 19.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -109.02 161.0 15.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -141.14 138.77 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -99.88 118.13 35.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.31 118.87 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -90.61 96.88 10.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 6.4 t -175.37 -175.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.448 ' N ' ' OG1' ' A' ' 67' ' ' THR . 9.4 mt -110.82 18.7 19.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 p -161.14 123.68 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.404 ' OH ' ' HB1' ' A' ' 63' ' ' ALA . 2.3 t80 -119.68 130.73 55.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.04 104.03 14.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.685 HG11 ' HE2' ' A' ' 83' ' ' PHE . 49.0 t -83.21 118.08 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.115 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.9 p -120.83 162.34 19.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.05 36.79 14.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.439 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.8 mt -97.6 175.74 6.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -101.31 138.68 19.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 153.1 69.67 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 45.28 49.76 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 93.6 m -142.49 137.22 30.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' ND2' ' A' ' 53' ' ' ASN . 59.7 tp -72.67 126.0 28.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE2' HG22 ' A' ' 52' ' ' THR . 17.7 m-85 -133.7 140.31 46.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' ' 99' ' ' THR . 0.5 OUTLIER -120.54 163.54 17.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.685 ' HE2' HG11 ' A' ' 72' ' ' VAL . 41.5 m-85 -146.99 153.23 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.852 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 m -147.31 127.41 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.603 HG21 ' CE3' ' A' ' 29' ' ' TRP . 20.3 t -108.07 141.92 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.571 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 19.0 ptm -143.11 150.16 39.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.436 HG22 ' HE1' ' A' ' 9' ' ' MET . 11.7 p -109.86 145.94 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.508 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 85.1 m -137.99 137.26 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -116.95 70.05 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.94 -84.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -96.82 -34.76 11.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.473 ' O ' HG23 ' A' ' 88' ' ' THR . 4.9 mpt_? -82.97 161.93 21.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.7 p -164.25 161.52 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' MET . 46.9 p -116.18 157.63 24.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -60.58 178.2 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.079 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.58 ' CZ3' ' HD2' ' A' ' 49' ' ' ARG . 87.2 m95 -85.8 122.69 30.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -53.95 164.8 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 ptp -55.29 108.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 82' ' ' GLU . 24.3 m -44.03 109.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.06 125.9 33.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -100.37 141.46 33.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.14 113.46 0.6 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -88.82 122.28 32.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.414 ' CG2' HD11 ' A' ' 25' ' ' ILE . 71.0 p -79.8 162.28 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 19' ' ' ILE . 44.8 m-85 -78.01 175.66 9.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -80.91 140.28 35.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 22' ' ' HIS . 3.2 tt -75.71 89.11 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.5 m -42.2 129.51 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.65 -116.08 0.7 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.58 21.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 m -81.98 58.79 4.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 p -44.65 -57.41 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -144.42 151.55 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.817 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -136.29 132.71 36.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.58 65.03 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 p -161.14 171.88 17.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.843 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 p -97.83 -61.42 1.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.56 71.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' CB ' ' O ' ' A' ' 93' ' ' SER . 53.7 Cg_endo -69.78 169.2 19.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.636 2.224 . . . . 0.0 112.347 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 18.2 mtm -76.73 173.41 11.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 20.5 mmt -90.49 130.88 39.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 166.35 27.88 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 178.37 4.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.52 179.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.66 23.87 59.1 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 t -64.66 119.09 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 17' ' ' ALA . 14.3 tt0 -121.64 166.45 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' N ' ' HG2' ' A' ' 16' ' ' GLN . . . -132.23 102.23 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 25' ' ' ILE . 3.1 m -97.29 143.2 28.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.815 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.508 ' C ' HD13 ' A' ' 20' ' ' LEU . 11.0 mm -109.93 125.18 67.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.143 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -112.65 -44.34 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.5 m -145.4 177.41 8.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 107' ' ' LEU . 37.8 p-80 -65.52 -19.39 65.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 75' ' ' LEU . 14.8 t70 -131.78 23.51 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.547 HG22 HD23 ' A' ' 20' ' ' LEU . 5.6 m -135.44 134.25 39.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.787 HD12 ' CD1' ' A' ' 75' ' ' LEU . 64.9 mt -155.71 126.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -96.04 132.97 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.3 mm -123.28 107.58 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.609 HG22 ' HB3' ' A' ' 69' ' ' SER . 40.5 p -108.53 155.94 20.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CE3' HG21 ' A' ' 85' ' ' VAL . 47.0 p90 -155.34 -179.22 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.13 144.19 32.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -107.48 137.73 44.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -26.62 27.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.2 p -58.03 -48.09 81.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.4 mt -51.76 145.48 16.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' LYS . 53.4 Cg_endo -69.73 -178.95 2.57 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 5.1 ptpp? -37.39 -49.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -81.11 118.24 22.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.43 85.34 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -144.9 106.96 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 HG23 ' HE ' ' A' ' 44' ' ' ARG . 62.3 mt -58.92 109.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.147 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.1 p -131.72 44.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -133.36 165.65 24.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.6 m -88.69 60.28 5.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.461 ' HE ' HG23 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -131.55 170.83 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.427 ' HA ' HG22 ' A' ' 66' ' ' THR . 29.0 p90 -143.72 151.69 40.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -99.26 149.75 22.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -129.31 103.43 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 85' ' ' VAL . 89.8 t -95.29 116.05 35.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -102.92 146.33 28.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 63' ' ' ALA . 31.8 p90 -149.74 143.61 25.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.545 ' HD3' ' CE1' ' A' ' 60' ' ' TYR . 9.4 pttp -139.55 -178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.628 HG22 ' CZ ' ' A' ' 81' ' ' TYR . 21.7 p -101.03 134.77 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.549 ' CG ' HD23 ' A' ' 80' ' ' LEU . 19.9 t-20 -65.13 -28.51 69.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 53' ' ' ASN . 42.3 mm -127.35 124.14 23.54 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.645 0.736 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 54' ' ' ILE . 53.6 Cg_endo -69.8 -169.34 5.04 Favored 'Cis proline' 0 C--N 1.341 0.148 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.297 -0.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.97 -56.63 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -80.35 97.37 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 34.1 p -135.18 173.15 12.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -84.92 151.21 24.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.545 ' CE1' ' HD3' ' A' ' 51' ' ' LYS . 23.8 m-85 -97.33 141.35 30.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -99.33 -175.23 2.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -161.97 148.9 13.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 50' ' ' TRP . . . -138.87 130.71 27.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -94.6 118.74 32.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -162.29 117.23 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.427 HG22 ' HA ' ' A' ' 45' ' ' TYR . 72.0 p -86.31 96.74 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -175.39 171.37 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' N ' ' OG1' ' A' ' 67' ' ' THR . 18.1 mt -97.58 27.59 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.609 ' HB3' HG22 ' A' ' 28' ' ' THR . 6.8 p -175.15 124.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -125.05 131.07 53.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -98.51 114.91 27.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.3 t -81.14 133.03 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.6 p -132.51 140.37 48.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASP . . . 98.61 61.62 0.87 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.787 ' CD1' HD12 ' A' ' 25' ' ' ILE . 25.0 mt -125.09 159.25 31.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -86.98 142.7 34.18 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.36 66.66 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.645 2.23 . . . . 0.0 112.318 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.6 t30 49.63 54.73 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.458 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 4.8 m -145.71 154.63 42.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CG ' ' A' ' 53' ' ' ASN . 30.8 tp -100.48 121.66 41.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.628 ' CZ ' HG22 ' A' ' 52' ' ' THR . 27.9 m-85 -119.08 159.99 22.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HG2' ' NE2' ' A' ' 101' ' ' HIS . 22.5 mt-10 -106.44 142.37 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -137.15 128.57 28.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' O ' HG13 ' A' ' 48' ' ' VAL . 58.0 p -147.93 160.93 42.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 48' ' ' VAL . 2.2 t -134.29 148.08 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.566 ' SD ' ' CH2' ' A' ' 96' ' ' TRP . 22.8 ptm -150.54 154.53 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.2 p -109.51 145.92 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 40.0 m -134.9 140.76 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.67 54.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.17 -83.91 1.58 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -100.19 -22.78 15.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -93.49 154.05 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 8' ' ' PRO . 92.8 p -159.81 149.99 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.0 p -105.15 166.94 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.5 p -68.8 -174.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.566 ' CH2' ' SD ' ' A' ' 86' ' ' MET . 87.4 m95 -97.7 111.65 23.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 33.8 p -51.37 169.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 14.7 ptm -41.94 125.69 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 29.1 m -76.11 113.46 13.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.62 115.98 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HB3' HD11 ' A' ' 80' ' ' LEU . 70.1 m80 -95.05 131.37 41.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -140.02 128.67 3.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 18.6 m -96.37 129.93 43.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.84 0.352 . . . . 0.0 111.153 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.455 ' CG2' HD11 ' A' ' 25' ' ' ILE . 13.8 p -77.47 158.1 30.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -72.35 161.17 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -71.89 137.56 47.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 22' ' ' HIS . 18.4 tp -106.54 -49.67 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 107' ' ' LEU . 94.2 p -37.04 -53.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -112.98 161.19 12.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 133.42 25.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.4 m -125.41 -47.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.9 m -121.38 85.76 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.965 . . . . . . . . 0 0 . 1 stop_ save_