data_2cuq_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 2cuq _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 ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.79 0.246 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CG2' ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 42' ' ' LEU . 19.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' HIS . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' VAL . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 72' ' ' LEU . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.803 0.251 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 42' ' ' LEU . 16.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 30' ' ' VAL . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.521 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.521 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.443 ' CG ' HG23 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.791 0.246 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CA ' HD11 ' A' ' 25' ' ' LEU . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' CA ' ' A' ' 17' ' ' ARG . 7.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' CYS . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 72' ' ' LEU . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.749 0.229 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' CA ' HD11 ' A' ' 25' ' ' LEU . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.445 HG23 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.445 ' CD1' HG23 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.765 0.236 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 34' ' ' ASP . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' HIS . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.783 0.243 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' C ' HG11 ' A' ' 43' ' ' VAL . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 72' ' ' LEU . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.788 0.245 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.581 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.85 0.271 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.471 ' CA ' HD12 ' A' ' 25' ' ' LEU . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD22 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 39' ' ' ARG . 18.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' CG ' HG13 ' A' ' 30' ' ' VAL . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.443 ' HG1' ' N ' ' A' ' 58' ' ' SER . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' HG1' ' A' ' 57' ' ' THR . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.775 0.24 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' CA ' HD11 ' A' ' 25' ' ' LEU . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' A' ' 58' ' ' SER . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.452 ' N ' ' HG1' ' A' ' 57' ' ' THR . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CG ' HG23 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.42 ' C ' HD13 ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.821 0.259 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH1' HG21 ' A' ' 24' ' ' THR . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 HG21 ' NH1' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.574 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' C ' HG11 ' A' ' 43' ' ' VAL . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' C ' ' A' ' 42' ' ' LEU . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.446 ' N ' ' HG1' ' A' ' 57' ' ' THR . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CG ' HG23 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 72' ' ' LEU . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.786 0.244 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' PRO . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 52' ' ' ALA . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 43' ' ' VAL . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG13 ' C ' ' A' ' 42' ' ' LEU . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' GLN . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 71' ' ' GLU . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' N ' ' A' ' 72' ' ' LEU . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.802 0.251 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' CA ' HD11 ' A' ' 25' ' ' LEU . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' CG2' ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.512 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' A' ' 58' ' ' SER . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.418 ' N ' ' HG1' ' A' ' 57' ' ' THR . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' GLU . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 72' ' ' LEU . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.762 0.234 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' C ' HD12 ' A' ' 25' ' ' LEU . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 1.5 mm-40 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' HIS . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.425 ' C ' HG11 ' A' ' 43' ' ' VAL . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 42' ' ' LEU . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.539 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.81 0.254 . . . . 0.0 112.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' CA ' HD11 ' A' ' 25' ' ' LEU . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' C ' HG11 ' A' ' 43' ' ' VAL . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 HG11 ' C ' ' A' ' 42' ' ' LEU . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 58' ' ' SER . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.435 ' N ' ' HG1' ' A' ' 57' ' ' THR . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.744 0.227 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CA ' HD13 ' A' ' 25' ' ' LEU . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.529 HD23 ' CD2' ' A' ' 38' ' ' HIS . 6.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 39' ' ' ARG . 31.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CD2' HD23 ' A' ' 25' ' ' LEU . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.531 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 58' ' ' SER . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.407 ' N ' ' HG1' ' A' ' 57' ' ' THR . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CA ' HD12 ' A' ' 25' ' ' LEU . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' CG2' ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CD2' HD23 ' A' ' 25' ' ' LEU . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' C ' HG12 ' A' ' 43' ' ' VAL . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG12 ' C ' ' A' ' 42' ' ' LEU . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.79 0.246 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' CA ' HD11 ' A' ' 25' ' ' LEU . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG2' ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.411 ' HG2' ' C ' ' A' ' 34' ' ' ASP . 9.3 mm100 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.533 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.459 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' HG1' ' A' ' 57' ' ' THR . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB1' ' A' ' 67' ' ' ALA . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.765 0.235 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' HIS . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.495 HG22 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 67' ' ' ALA . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CD1' HG22 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.807 0.253 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' HIS . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CE1' HD22 ' A' ' 72' ' ' LEU . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 64' ' ' TYR . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.72 0.216 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' CA ' HD13 ' A' ' 25' ' ' LEU . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' HIS . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -136.17 131.95 35.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.66 -164.55 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p 40.39 41.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -140.58 157.56 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 82.29 0.99 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 175.97 7.38 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -126.38 95.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -135.09 122.49 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -165.78 124.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -146.7 115.8 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -99.47 103.72 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -113.8 -11.54 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -158.87 156.91 27.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 142.36 47.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.396 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.529 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' O ' ' CG2' ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt -134.79 85.56 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -103.7 -32.22 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -83.03 47.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.19 -101.18 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.76 -155.09 21.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 42' ' ' LEU . 19.9 m -143.66 176.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' HIS . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 30' ' ' VAL . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.495 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.504 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 72' ' ' LEU . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 -72.23 -42.31 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.64 41.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -58.8 174.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.27 143.1 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.2 m 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.5 p -94.37 148.03 22.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -165.97 131.54 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -126.85 154.42 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.67 -153.31 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -147.83 147.82 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -162.06 157.69 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.96 68.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 175.1 8.6 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.3 p -52.5 126.52 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.8 -49.56 17.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.33 121.79 42.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -85.16 42.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -97.19 126.98 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -125.59 -14.9 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.53 161.83 58.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.74 59.39 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' O ' ' CG2' ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -148.2 116.5 6.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.1 p -129.31 -61.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -108.75 154.9 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.19 66.84 1.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.59 160.94 22.3 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG21 ' CD2' ' A' ' 42' ' ' LEU . 16.1 m -139.25 176.07 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.449 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 30' ' ' VAL . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.521 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.555 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.521 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.443 ' CG ' HG23 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.555 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 -72.77 -42.99 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.01 81.51 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.5 p -105.75 42.59 1.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.5 133.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 38.8 t 58.39 42.65 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' SER . 3.1 m -35.49 -44.85 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.17 42.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.04 171.21 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 126.92 4.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m -161.29 141.65 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -127.22 152.7 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.17 68.77 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 132.0 22.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.98 84.9 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -48.12 109.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.78 143.67 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -128.26 -43.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 119.37 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -98.24 89.14 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.31 152.72 8.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.87 58.91 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CA ' HD11 ' A' ' 25' ' ' LEU . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD11 ' CA ' ' A' ' 17' ' ' ARG . 7.7 mt -134.98 41.58 2.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.0 p -34.4 -57.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -151.13 149.1 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.3 84.81 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.42 -174.99 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.7 m -136.18 176.81 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 48' ' ' GLN . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' CYS . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.463 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 72' ' ' LEU . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 -71.12 -43.95 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.29 88.66 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -87.61 134.31 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.86 -161.63 37.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.49 34.36 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -120.14 96.93 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.6 p -146.88 171.51 15.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.497 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 p -116.82 171.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -160.9 110.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 41.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -130.47 80.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -130.83 -52.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.72 156.19 7.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 149.85 67.67 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.03 135.85 55.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -123.64 40.52 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.17 104.36 16.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -92.46 -44.09 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -125.72 157.22 37.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -107.74 118.58 37.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.66 157.3 62.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 162.71 41.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' CA ' HD11 ' A' ' 25' ' ' LEU . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt -135.06 45.48 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.4 p -49.95 -57.83 6.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.39 85.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.9 -136.52 1.64 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' HA2' ' NH1' ' A' ' 39' ' ' ARG . . . 135.0 -169.2 23.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.59 178.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.406 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.548 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.408 ' NH1' ' HA2' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.528 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.445 HG23 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.445 ' CD1' HG23 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 72' ' ' LEU . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.496 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 -74.99 -43.8 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.25 163.44 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.6 t 62.93 41.41 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.67 -103.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -174.61 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.5 p -98.5 167.05 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLY . 69.2 m -151.46 120.66 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -132.99 163.03 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.78 94.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 122.74 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -125.66 171.73 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.61 157.95 23.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.35 38.58 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.7 2.266 . . . . 0.0 112.365 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.1 p -117.43 126.77 53.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -89.91 -51.66 5.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.69 108.11 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -80.82 177.68 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.46 83.28 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -103.93 -16.12 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 148.68 1.77 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.705 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 159.96 51.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.99 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -68.19 -45.31 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -95.98 95.54 8.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.17 128.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.84 166.87 39.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 m -136.08 178.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HG2' ' C ' ' A' ' 34' ' ' ASP . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 38' ' ' HIS . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.514 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.514 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' N ' HD11 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 -76.97 -43.41 35.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.96 125.36 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.6 m 60.76 40.9 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.24 -86.97 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.15 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -144.85 173.41 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -111.95 117.93 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.522 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -103.95 152.2 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -125.61 151.53 46.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.15 114.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -172.87 120.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -162.91 156.81 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 87.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.18 62.43 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.69 136.44 44.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -95.34 87.08 4.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -142.83 111.93 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -85.02 -55.26 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -101.81 144.74 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -146.52 117.4 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.21 155.35 80.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 166.62 27.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.289 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -134.99 47.35 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -59.26 -31.52 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -91.11 164.57 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.99 115.63 4.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -158.86 10.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -134.08 174.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' C ' HG11 ' A' ' 43' ' ' VAL . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.577 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.45 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.426 ' SG ' ' CB ' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' CB ' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 74' ' ' ALA . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' N ' HD13 ' A' ' 72' ' ' LEU . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 -78.9 -43.08 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.417 ' CB ' ' HA2' ' A' ' 70' ' ' GLY . . . -72.83 152.75 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 176.34 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.95 -121.89 3.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.26 24.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 101.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 m -103.01 87.25 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -79.89 171.81 14.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -149.57 141.93 24.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 -88.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t 64.65 43.25 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -80.71 42.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.48 79.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.54 16.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.63 42.02 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -133.22 138.37 46.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.09 103.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -173.08 146.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mttt 60.4 38.54 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 9.1 t80 -126.51 -24.01 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.0 148.4 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.59 43.52 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -53.79 -48.14 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -79.44 166.57 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.47 126.74 1.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.13 -170.08 11.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 m -130.85 174.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.481 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.504 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 38' ' ' HIS . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.581 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.479 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' N ' HD11 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 -75.55 -43.67 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.61 80.12 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.0 p -164.68 142.18 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.14 -121.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.22 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -150.46 167.76 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -108.6 136.25 48.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.0 m 34.61 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -104.45 155.78 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -174.8 13.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.88 103.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -128.09 128.97 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.06 88.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -177.28 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.302 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 m -128.96 123.9 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -107.06 100.89 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -143.07 147.07 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 13' ' ' LYS . 1.1 p30 -62.29 -53.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -124.6 168.84 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -136.4 141.4 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.22 158.32 4.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 148.79 66.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' CA ' HD12 ' A' ' 25' ' ' LEU . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD22 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt -134.97 81.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' GLY . 28.1 mm-40 -62.45 178.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -37.72 -44.69 1.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.53 170.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG13 ' CG ' ' A' ' 39' ' ' ARG . 18.2 m -135.47 174.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.487 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' CG ' HG13 ' A' ' 30' ' ' VAL . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' HIS . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.527 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.567 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.443 ' HG1' ' N ' ' A' ' 58' ' ' SER . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' HG1' ' A' ' 57' ' ' THR . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.527 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 -60.55 -42.99 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.29 90.98 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -104.18 -49.43 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.41 -157.31 9.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -89.01 118.86 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -127.08 138.07 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.489 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -113.56 115.87 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.42 148.06 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 -167.67 37.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -169.67 163.25 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -121.56 165.33 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.82 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.71 6.61 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.86 125.99 54.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -160.89 175.37 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.52 84.55 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.4 103.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 145.62 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -116.81 -10.4 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -152.53 163.18 24.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 170.04 17.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' CA ' HD11 ' A' ' 25' ' ' LEU . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt -148.08 139.69 23.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLN . 24.0 p -129.93 165.13 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' THR . 67.5 mt-30 -34.47 110.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.83 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.41 -175.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 m -132.21 176.38 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.576 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.565 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' A' ' 58' ' ' SER . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.452 ' N ' ' HG1' ' A' ' 57' ' ' THR . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.513 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CG ' HG23 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.11 -43.31 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.08 78.91 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 t -92.36 -55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.24 88.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.3 t 49.12 41.18 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 t -90.42 146.72 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.468 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -161.04 128.0 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -167.6 137.2 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.11 33.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.33 120.35 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 p -148.43 153.59 38.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.86 137.02 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 79.34 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.99 144.75 27.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -123.58 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -108.65 40.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.12 -57.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -90.82 44.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -82.1 -15.07 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 153.16 9.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' C ' HD13 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.79 146.34 59.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' NH1' HG21 ' A' ' 24' ' ' THR . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 HG21 ' NH1' ' A' ' 17' ' ' ARG . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt -135.02 33.96 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 t -65.97 -44.21 85.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -97.52 98.47 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 157.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' HE ' ' A' ' 39' ' ' ARG . . . 164.03 170.64 29.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.9 m -133.59 176.34 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.574 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' C ' HG11 ' A' ' 43' ' ' VAL . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG11 ' C ' ' A' ' 42' ' ' LEU . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.475 HG23 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.446 ' N ' ' HG1' ' A' ' 57' ' ' THR . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.571 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CG ' HG23 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 72' ' ' LEU . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 -66.14 -44.19 84.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.05 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -71.38 143.47 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 78' ' ' SER . . . -134.4 -167.16 11.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 9.0 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 76' ' ' GLY . 58.5 m -91.04 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -85.41 144.23 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -152.91 161.91 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -110.16 -48.68 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.09 -173.21 24.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -125.4 -56.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 t 53.47 42.35 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.69 118.12 4.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.72 15.02 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.96 108.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.97 119.63 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -115.28 107.88 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -81.46 90.64 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -139.38 140.81 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -120.4 40.8 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.93 152.23 66.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.99 64.61 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.415 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' PRO . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' O ' ' CG2' ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -134.81 82.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.9 p -104.09 -48.97 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -76.63 80.43 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.4 -126.1 18.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.32 176.54 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.1 m -137.83 177.33 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.468 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.463 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 52' ' ' ALA . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' C ' HG13 ' A' ' 43' ' ' VAL . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG13 ' C ' ' A' ' 42' ' ' LEU . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.56 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 54' ' ' GLN . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.451 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.562 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.459 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' O ' ' CG ' ' A' ' 71' ' ' GLU . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 HD11 ' N ' ' A' ' 72' ' ' LEU . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.562 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 -71.93 -44.26 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 120.6 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -66.59 82.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.22 170.43 53.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.289 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.9 m -155.26 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' SER . 30.8 t -36.64 -59.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -127.68 107.49 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -116.53 158.44 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.23 161.84 20.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -132.41 93.34 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -154.11 129.55 9.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.22 133.89 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.25 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 m -89.94 97.97 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -100.64 174.68 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -108.23 85.06 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -42.92 115.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -93.3 155.02 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -122.22 -14.9 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.49 158.1 4.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 148.7 65.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.29 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' CA ' HD11 ' A' ' 25' ' ' LEU . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' O ' ' CG2' ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt -134.93 96.08 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -115.81 -59.1 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -94.81 121.35 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.78 97.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.63 155.87 23.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.01 175.66 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' GLN . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.544 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.512 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.443 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.516 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' A' ' 58' ' ' SER . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.418 ' N ' ' HG1' ' A' ' 57' ' ' THR . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.569 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' O ' ' CG ' ' A' ' 71' ' ' GLU . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 72' ' ' LEU . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.569 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 -77.39 -44.09 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.3 137.17 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -137.73 163.87 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.42 -77.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.26 14.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -108.08 132.32 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -80.22 177.2 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -133.45 109.3 9.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -133.53 152.05 51.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.71 122.77 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -169.67 120.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.4 m -136.68 129.37 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -38.22 100.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 5.13 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.31 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 139.81 45.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -145.08 124.19 12.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.63 107.68 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.26 167.59 22.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -70.81 157.98 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 1.4 p90 -49.42 -18.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.86 144.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.34 5.71 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' C ' HD12 ' A' ' 25' ' ' LEU . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -146.72 110.1 4.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -131.4 -62.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -62.11 99.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.28 -93.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.9 -173.83 49.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.4 m -149.34 171.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 1.5 mm-40 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' HIS . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.425 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.425 ' C ' HG11 ' A' ' 43' ' ' VAL . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 42' ' ' LEU . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.539 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.539 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 -69.04 -43.62 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.56 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -71.68 155.84 40.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.75 131.55 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.99 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 82.6 p -128.4 166.82 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.5 m 37.95 43.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.454 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -135.96 132.26 36.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.365 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.85 169.13 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.73 18.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -162.45 158.87 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -147.22 177.7 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.19 76.7 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 157.54 60.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 p -72.23 177.39 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -151.8 122.84 7.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -140.68 140.86 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -116.38 81.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -121.13 149.99 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.75 106.47 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 146.38 6.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 143.47 51.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' CA ' HD11 ' A' ' 25' ' ' LEU . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 HG22 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt -134.99 41.34 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.6 p -67.98 -57.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.75 -48.96 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.58 144.87 4.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.1 -132.76 1.39 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m -149.07 175.88 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.486 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' C ' HG11 ' A' ' 43' ' ' VAL . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 HG11 ' C ' ' A' ' 42' ' ' LEU . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' A' ' 58' ' ' SER . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.435 ' N ' ' HG1' ' A' ' 57' ' ' THR . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 72' ' ' LEU . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 -68.74 -44.22 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.17 116.04 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -67.8 -46.76 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.38 10.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -107.39 42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m 58.56 41.66 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.489 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.53 106.49 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -131.72 129.37 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.87 95.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -153.33 112.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -75.19 -56.63 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.85 124.16 2.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.7 3.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.1 m -106.04 133.32 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -157.0 174.77 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -135.09 168.04 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -90.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -51.0 133.57 27.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -149.61 141.21 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.67 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 174.51 9.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CA ' HD13 ' A' ' 25' ' ' LEU . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' O ' ' CG2' ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD23 ' CD2' ' A' ' 38' ' ' HIS . 6.5 mt -146.83 109.3 4.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.17 -38.18 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 29' ' ' GLY . 77.8 mt-30 -87.88 110.16 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 -80.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 55.61 163.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 39' ' ' ARG . 31.6 m -138.61 176.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.477 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.529 ' CD2' HD23 ' A' ' 25' ' ' LEU . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.531 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.407 ' HG1' ' N ' ' A' ' 58' ' ' SER . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.407 ' N ' ' HG1' ' A' ' 57' ' ' THR . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.573 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.41 -43.48 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.98 -49.13 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m 61.66 47.35 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.23 114.08 6.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.4 42.67 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -72.64 131.48 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.2 p -100.7 42.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -166.47 166.69 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -65.83 162.02 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.77 142.75 16.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -121.6 134.81 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -136.0 171.18 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.12 68.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 89.22 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -171.86 115.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 20.2 p90 -118.89 99.64 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ASN . 17.9 tp10 -99.57 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLU . 49.3 t30 -36.61 -55.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -106.25 129.57 54.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.5 p90 -111.27 118.86 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.01 159.88 29.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 155.95 64.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' CA ' HD12 ' A' ' 25' ' ' LEU . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' O ' ' CG2' ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 38' ' ' HIS . 6.4 mt -134.81 44.19 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -61.7 -45.82 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.01 101.02 10.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.17 -139.24 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.17 17.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -144.23 167.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.522 ' O ' ' CG2' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.404 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CD2' HD23 ' A' ' 25' ' ' LEU . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' C ' HG12 ' A' ' 43' ' ' VAL . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG12 ' C ' ' A' ' 42' ' ' LEU . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.426 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.532 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.532 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 -79.81 -44.28 20.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.87 154.66 18.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.44 -99.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.45 4.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -162.77 123.88 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.5 m -57.68 130.04 44.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -155.81 167.23 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -168.52 157.95 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.17 71.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -127.56 121.89 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -168.08 124.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.84 79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.79 20.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -104.78 123.29 47.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -81.1 150.19 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.71 156.46 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.42 48.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -74.07 84.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.83 -14.62 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.89 151.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.67 37.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' CA ' HD11 ' A' ' 25' ' ' LEU . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' O ' ' CG2' ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -134.95 74.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 27' ' ' GLN . 80.9 p -60.85 173.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.8 pm0 -33.2 108.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.16 90.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -157.97 174.22 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.89 174.25 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.411 ' HG2' ' C ' ' A' ' 34' ' ' ASP . 9.3 mm100 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.533 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.542 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.459 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' N ' ' HG1' ' A' ' 57' ' ' THR . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.401 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.418 ' SG ' ' HB1' ' A' ' 67' ' ' ALA . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.459 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 72' ' ' LEU . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 -71.89 -43.37 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.66 81.7 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -174.62 140.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 179.12 87.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 16.44 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 76' ' ' GLY . 52.4 p -76.18 48.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.5 t -48.34 -56.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -170.93 106.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -102.17 42.11 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.2 52.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -132.62 42.13 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -93.65 148.15 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.37 73.74 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.44 50.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.254 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 p -165.27 158.19 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.13 94.6 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -106.68 155.35 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -63.76 -44.37 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -93.15 83.53 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 14' ' ' PHE . 20.1 p90 -74.25 86.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -136.98 158.71 72.3 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.44 42.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.553 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -149.11 111.86 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -147.56 161.6 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 63.52 47.06 3.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.09 -117.51 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.87 171.26 45.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.438 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.9 m -136.69 176.09 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 38' ' ' HIS . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.559 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.446 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.495 HG22 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.574 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.41 ' SG ' ' HB1' ' A' ' 67' ' ' ALA . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HB1' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' CD1' HG22 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 -73.51 -42.35 61.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.63 50.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 p 43.03 40.59 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.68 174.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -119.99 41.45 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t 44.33 42.12 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -157.55 117.12 3.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -173.15 130.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.12 2.14 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -169.7 143.27 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -129.14 135.65 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 80.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.81 41.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.48 140.86 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -131.24 129.87 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -114.7 41.11 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -70.6 80.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.12 87.45 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -110.37 35.99 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.63 147.8 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.72 67.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.97 79.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -100.33 -55.8 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -109.62 124.08 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.53 100.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.59 166.92 33.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.447 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.46 168.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.457 ' O ' ' CG2' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.564 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 38' ' ' HIS . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.507 ' CE1' HD22 ' A' ' 72' ' ' LEU . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 68' ' ' CYS . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 71' ' ' GLU . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.451 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' HA2' ' CB ' ' A' ' 74' ' ' ALA . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.507 HD22 ' CE1' ' A' ' 64' ' ' TYR . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 -82.0 -40.14 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' CB ' ' HA2' ' A' ' 70' ' ' GLY . . . -90.15 74.13 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.3 p -134.53 88.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.09 158.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.85 7.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -111.37 147.59 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -94.68 -51.54 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -167.78 111.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -142.39 132.5 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 41.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -106.48 81.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -153.57 120.88 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.33 137.9 13.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 98.23 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.9 t -50.68 111.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -101.99 138.07 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -164.01 118.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -110.24 86.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.62 132.81 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.39 107.24 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.52 150.44 76.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.22 69.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' CA ' HD13 ' A' ' 25' ' ' LEU . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' CG2' ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.62 95.06 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -111.61 -57.42 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -116.61 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.25 86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.04 167.39 29.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 m -139.85 178.04 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 38' ' ' HIS . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.49 ' N ' HD13 ' A' ' 72' ' ' LEU . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.14 -43.35 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.96 -46.85 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.9 m -72.45 -45.53 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.98 124.77 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.11 20.57 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.62 -55.36 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 m -153.62 140.39 19.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.79 0.246 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' HD3' ' A' ' 39' ' ' ARG . 19.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' THR . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.495 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.415 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLN . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.803 0.251 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 31' ' ' THR . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.472 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CG ' HG21 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.791 0.246 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 24' ' ' THR . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' HG2' ' A' ' 39' ' ' ARG . 20.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' A' ' 30' ' ' VAL . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.592 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 49' ' ' THR . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 47' ' ' CYS . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.425 ' HG ' ' HE2' ' A' ' 32' ' ' TYR . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.749 0.229 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' THR . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' TYR . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.538 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.767 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.767 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 36' ' ' PRO . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.765 0.236 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 31' ' ' THR . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' VAL . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' CYS . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.783 0.243 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.674 ' O ' HG23 ' A' ' 24' ' ' THR . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' THR . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' GLN . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.856 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.788 0.245 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 39' ' ' ARG . 15.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 30' ' ' VAL . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 41' ' ' CYS . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' HG22 ' A' ' 49' ' ' THR . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 44' ' ' CYS . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' HD13 ' A' ' 72' ' ' LEU . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.85 0.271 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.78 ' O ' HG23 ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 31' ' ' THR . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 43' ' ' VAL . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' GLN . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.809 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.775 0.24 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' THR . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HG13 ' A' ' 30' ' ' VAL . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 49' ' ' THR . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 44' ' ' CYS . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HE ' ' A' ' 39' ' ' ARG . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.724 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.821 0.259 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.9 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' THR . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HG2' HG13 ' A' ' 30' ' ' VAL . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.481 ' CG ' HG21 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.786 0.244 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' NE1' ' A' ' 37' ' ' TRP . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.849 ' O ' HG23 ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 31' ' ' THR . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' HG13 ' A' ' 30' ' ' VAL . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' THR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 49' ' ' THR . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 65' ' ' CYS . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' HB3' HD22 ' A' ' 51' ' ' LEU . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 69' ' ' PHE . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.691 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 57' ' ' THR . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.802 0.251 . . . . 0.0 112.29 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 31' ' ' THR . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.762 0.234 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 24' ' ' THR . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CD ' ' A' ' 39' ' ' ARG . 12.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' THR . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 8.7 mm100 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.58 HH11 ' HB1' ' A' ' 52' ' ' ALA . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 41' ' ' CYS . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.543 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.58 ' HB1' HH11 ' A' ' 39' ' ' ARG . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.651 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.451 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.81 0.254 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' THR . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 41' ' ' CYS . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' GLN . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.744 0.227 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.687 HG13 ' HG2' ' A' ' 39' ' ' ARG . 31.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 31' ' ' THR . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.687 ' HG2' HG13 ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 41' ' ' CYS . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HB2' HG22 ' A' ' 49' ' ' THR . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 45' ' ' THR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 44' ' ' CYS . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 39' ' ' ARG . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 41' ' ' CYS . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.79 0.246 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.764 ' O ' HG23 ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 31' ' ' THR . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . 12.7 mm-40 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.652 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.47 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.765 0.235 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 24' ' ' THR . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 39' ' ' ARG . 16.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 31' ' ' THR . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.807 0.253 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HB3' ' C ' ' A' ' 22' ' ' SER . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 39' ' ' ARG . 12.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.638 ' HG2' HG13 ' A' ' 30' ' ' VAL . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLN . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 57' ' ' THR . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.72 0.216 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.783 ' O ' HG23 ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 39' ' ' ARG . 9.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' THR . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HG2' HG13 ' A' ' 30' ' ' VAL . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 57' ' ' THR . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -136.17 131.95 35.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.66 -164.55 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p 40.39 41.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -140.58 157.56 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 82.29 0.99 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 54.4 Cg_endo -69.74 175.97 7.38 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -126.38 95.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 95.8 m-85 -135.09 122.49 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -165.78 124.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -146.7 115.8 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -99.47 103.72 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -113.8 -11.54 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -158.87 156.91 27.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.78 142.36 47.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.396 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt -134.79 85.56 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -103.7 -32.22 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -83.03 47.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.19 -101.18 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.76 -155.09 21.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' HD3' ' A' ' 39' ' ' ARG . 19.9 m -143.66 176.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' THR . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.495 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.415 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLN . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 -72.23 -42.31 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -86.64 41.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -58.8 174.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.27 143.1 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.2 m 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.5 p -94.37 148.03 22.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -165.97 131.54 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -126.85 154.42 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.67 -153.31 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -147.83 147.82 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -162.06 157.69 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.96 68.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 175.1 8.6 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.3 p -52.5 126.52 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.8 -49.56 17.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.33 121.79 42.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -85.16 42.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -97.19 126.98 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -125.59 -14.9 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -137.53 161.83 58.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.74 157.74 59.39 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -148.2 116.5 6.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.1 p -129.31 -61.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -108.75 154.9 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.19 66.84 1.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.59 160.94 22.3 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.25 176.07 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 31' ' ' THR . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.472 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CG ' HG21 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 -72.77 -42.99 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -93.01 81.51 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.5 p -105.75 42.59 1.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.5 133.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 38.8 t 58.39 42.65 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' SER . 3.1 m -35.49 -44.85 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.17 42.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.04 171.21 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 126.92 4.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m -161.29 141.65 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -127.22 152.7 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.17 68.77 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 132.0 22.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.98 84.9 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -48.12 109.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.78 143.67 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -128.26 -43.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 119.37 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -98.24 89.14 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.31 152.72 8.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.87 58.91 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 24' ' ' THR . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 mt -134.98 41.58 2.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.0 p -34.4 -57.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -151.13 149.1 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.3 84.81 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.42 -174.99 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' HG2' ' A' ' 39' ' ' ARG . 20.7 m -136.18 176.81 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' A' ' 30' ' ' VAL . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.592 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 49' ' ' THR . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 47' ' ' CYS . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.425 ' HG ' ' HE2' ' A' ' 32' ' ' TYR . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 -71.12 -43.95 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.29 88.66 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -87.61 134.31 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.86 -161.63 37.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.49 34.36 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -120.14 96.93 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.6 p -146.88 171.51 15.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.497 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 p -116.82 171.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -160.9 110.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 41.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -130.47 80.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -130.83 -52.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.72 156.19 7.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 149.85 67.67 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.03 135.85 55.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -123.64 40.52 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.17 104.36 16.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -92.46 -44.09 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -125.72 157.22 37.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -107.74 118.58 37.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -142.66 157.3 62.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.72 162.71 41.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt -135.06 45.48 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.4 p -49.95 -57.83 6.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.39 85.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.9 -136.52 1.64 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 39' ' ' ARG . . . 135.0 -169.2 23.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.59 178.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' THR . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' TYR . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.538 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.767 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.767 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.584 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 -74.99 -43.8 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.584 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -85.25 163.44 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.6 t 62.93 41.41 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.67 -103.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -174.61 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.5 p -98.5 167.05 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLY . 69.2 m -151.46 120.66 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -132.99 163.03 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.78 94.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 122.74 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -125.66 171.73 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.61 157.95 23.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.35 38.58 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.7 2.266 . . . . 0.0 112.365 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.1 p -117.43 126.77 53.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -89.91 -51.66 5.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.69 108.11 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.82 177.68 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.46 83.28 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -103.93 -16.12 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 148.68 1.77 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.705 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 36' ' ' PRO . 54.6 Cg_endo -69.71 159.96 51.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.99 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HG2' ' A' ' 27' ' ' GLN . 2.6 t -68.19 -45.31 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 26' ' ' THR . 33.9 mm-40 -95.98 95.54 8.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.17 128.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.84 166.87 39.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.7 m -136.08 178.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 31' ' ' THR . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' VAL . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' CYS . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 -76.97 -43.41 35.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -96.96 125.36 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.6 m 60.76 40.9 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.24 -86.97 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.15 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -144.85 173.41 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -111.95 117.93 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.522 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -103.95 152.2 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -125.61 151.53 46.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.15 114.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -172.87 120.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -162.91 156.81 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 87.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.18 62.43 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.69 136.44 44.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -95.34 87.08 4.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -142.83 111.93 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -85.02 -55.26 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -101.81 144.74 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -146.52 117.4 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -130.21 155.35 80.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.78 166.62 27.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.674 ' O ' HG23 ' A' ' 24' ' ' THR . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -134.99 47.35 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -59.26 -31.52 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -91.11 164.57 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.99 115.63 4.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -158.86 10.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -134.08 174.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' THR . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' GLN . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.856 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 -78.9 -43.08 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -72.83 152.75 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 176.34 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.95 -121.89 3.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.26 24.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 101.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 m -103.01 87.25 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -79.89 171.81 14.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -149.57 141.93 24.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 -88.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t 64.65 43.25 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -80.71 42.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.48 79.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.54 16.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.63 42.02 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -133.22 138.37 46.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.09 103.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -173.08 146.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mttt 60.4 38.54 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 9.1 t80 -126.51 -24.01 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.0 148.4 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.59 43.52 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -53.79 -48.14 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -79.44 166.57 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.47 126.74 1.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.13 -170.08 11.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 39' ' ' ARG . 15.7 m -130.85 174.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 30' ' ' VAL . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 41' ' ' CYS . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' HG22 ' A' ' 49' ' ' THR . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 44' ' ' CYS . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' HD13 ' A' ' 72' ' ' LEU . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.55 -43.67 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -83.61 80.12 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.0 p -164.68 142.18 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.14 -121.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.22 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -150.46 167.76 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -108.6 136.25 48.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.0 m 34.61 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -104.45 155.78 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -174.8 13.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.88 103.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -128.09 128.97 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.06 88.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -177.28 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.302 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 m -128.96 123.9 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -107.06 100.89 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -143.07 147.07 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 13' ' ' LYS . 1.1 p30 -62.29 -53.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -124.6 168.84 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -136.4 141.4 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -172.22 158.32 4.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.74 148.79 66.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.78 ' O ' HG23 ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -134.97 81.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' GLY . 28.1 mm-40 -62.45 178.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -37.72 -44.69 1.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.53 170.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.47 174.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 31' ' ' THR . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 43' ' ' VAL . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' GLN . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.809 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 -60.55 -42.99 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.29 90.98 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -104.18 -49.43 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.41 -157.31 9.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -89.01 118.86 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -127.08 138.07 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.489 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -113.56 115.87 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.42 148.06 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 -167.67 37.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -169.67 163.25 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -121.56 165.33 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.82 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.71 6.61 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.86 125.99 54.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -160.89 175.37 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.52 84.55 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.4 103.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 145.62 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -116.81 -10.4 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -152.53 163.18 24.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.76 170.04 17.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' THR . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt -148.08 139.69 23.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLN . 24.0 p -129.93 165.13 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' THR . 67.5 mt-30 -34.47 110.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.83 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.41 -175.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.6 m -132.21 176.38 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HG13 ' A' ' 30' ' ' VAL . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 49' ' ' THR . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 44' ' ' CYS . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HE ' ' A' ' 39' ' ' ARG . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.724 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.11 -43.31 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -91.08 78.91 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 t -92.36 -55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.24 88.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.3 t 49.12 41.18 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 t -90.42 146.72 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.468 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -161.04 128.0 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -167.6 137.2 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.11 33.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.33 120.35 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 p -148.43 153.59 38.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.86 137.02 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 79.34 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.99 144.75 27.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -123.58 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -108.65 40.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.12 -57.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -90.82 44.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -82.1 -15.07 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 153.16 9.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.79 146.34 59.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -135.02 33.96 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HG2' ' A' ' 27' ' ' GLN . 2.6 t -65.97 -44.21 85.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 26' ' ' THR . 10.1 mm100 -97.52 98.47 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 157.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' HE ' ' A' ' 39' ' ' ARG . . . 164.03 170.64 29.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.9 m -133.59 176.34 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' THR . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HG2' HG13 ' A' ' 30' ' ' VAL . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.481 ' CG ' HG21 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 -66.14 -44.19 84.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.05 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -71.38 143.47 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.4 -167.16 11.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 9.0 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -91.04 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -85.41 144.23 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -152.91 161.91 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -110.16 -48.68 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.09 -173.21 24.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -125.4 -56.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 t 53.47 42.35 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.69 118.12 4.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.72 15.02 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.96 108.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.97 119.63 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -115.28 107.88 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -81.46 90.64 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -139.38 140.81 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -120.4 40.8 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.93 152.23 66.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.99 64.61 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' NE1' ' A' ' 37' ' ' TRP . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.849 ' O ' HG23 ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -134.81 82.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.9 p -104.09 -48.97 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -76.63 80.43 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.4 -126.1 18.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.32 176.54 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.1 m -137.83 177.33 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 31' ' ' THR . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' HG13 ' A' ' 30' ' ' VAL . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' THR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 49' ' ' THR . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 65' ' ' CYS . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' HB3' HD22 ' A' ' 51' ' ' LEU . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 69' ' ' PHE . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.691 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 57' ' ' THR . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 -71.93 -44.26 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 120.6 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -66.59 82.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.22 170.43 53.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.289 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.9 m -155.26 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' SER . 30.8 t -36.64 -59.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -127.68 107.49 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -116.53 158.44 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.23 161.84 20.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -132.41 93.34 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -154.11 129.55 9.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.22 133.89 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.25 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 m -89.94 97.97 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -100.64 174.68 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -108.23 85.06 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -42.92 115.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -93.3 155.02 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -122.22 -14.9 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -171.49 158.1 4.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.85 148.7 65.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt -134.93 96.08 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -115.81 -59.1 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -94.81 121.35 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.78 97.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.63 155.87 23.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.01 175.66 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 31' ' ' THR . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 -77.39 -44.09 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -94.3 137.17 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -137.73 163.87 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.42 -77.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.26 14.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -108.08 132.32 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -80.22 177.2 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -133.45 109.3 9.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -133.53 152.05 51.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.71 122.77 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -169.67 120.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.4 m -136.68 129.37 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -38.22 100.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 5.13 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.31 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 139.81 45.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -145.08 124.19 12.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.63 107.68 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.26 167.59 22.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -70.81 157.98 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 1.4 p90 -49.42 -18.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.86 144.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.34 5.71 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 24' ' ' THR . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -146.72 110.1 4.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -131.4 -62.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -62.11 99.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.28 -93.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.9 -173.83 49.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CD ' ' A' ' 39' ' ' ARG . 12.4 m -149.34 171.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' THR . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 8.7 mm100 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.58 HH11 ' HB1' ' A' ' 52' ' ' ALA . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 41' ' ' CYS . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.543 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.58 ' HB1' HH11 ' A' ' 39' ' ' ARG . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.651 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 -69.04 -43.62 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.56 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -71.68 155.84 40.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.75 131.55 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.99 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 82.6 p -128.4 166.82 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.5 m 37.95 43.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.454 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -135.96 132.26 36.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.365 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.85 169.13 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.73 18.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -162.45 158.87 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -147.22 177.7 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.19 76.7 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 157.54 60.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 p -72.23 177.39 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -151.8 122.84 7.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -140.68 140.86 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -116.38 81.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' HG22 ' A' ' 24' ' ' THR . 9.3 pttp -121.13 149.99 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.75 106.47 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 146.38 6.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.73 143.47 51.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt -134.99 41.34 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.6 p -67.98 -57.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.75 -48.96 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.58 144.87 4.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.1 -132.76 1.39 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m -149.07 175.88 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' THR . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 41' ' ' CYS . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' GLN . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 -68.74 -44.22 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.17 116.04 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -67.8 -46.76 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.38 10.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -107.39 42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m 58.56 41.66 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.489 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.53 106.49 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -131.72 129.37 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.87 95.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -153.33 112.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -75.19 -56.63 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.85 124.16 2.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.7 3.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.1 m -106.04 133.32 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -157.0 174.77 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -135.09 168.04 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -90.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -51.0 133.57 27.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -149.61 141.21 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -151.51 159.67 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.8 174.51 9.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.5 mt -146.83 109.3 4.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.17 -38.18 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 29' ' ' GLY . 77.8 mt-30 -87.88 110.16 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 -80.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 55.61 163.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.687 HG13 ' HG2' ' A' ' 39' ' ' ARG . 31.6 m -138.61 176.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 31' ' ' THR . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.687 ' HG2' HG13 ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 41' ' ' CYS . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HB2' HG22 ' A' ' 49' ' ' THR . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 45' ' ' THR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 44' ' ' CYS . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 39' ' ' ARG . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.41 -43.48 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.98 -49.13 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m 61.66 47.35 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.23 114.08 6.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.4 42.67 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -72.64 131.48 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.2 p -100.7 42.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -166.47 166.69 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -65.83 162.02 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.77 142.75 16.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -121.6 134.81 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -136.0 171.18 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.12 68.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 89.22 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -171.86 115.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 20.2 p90 -118.89 99.64 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ASN . 17.9 tp10 -99.57 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLU . 49.3 t30 -36.61 -55.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -106.25 129.57 54.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.5 p90 -111.27 118.86 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -159.01 159.88 29.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.73 155.95 64.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -134.81 44.19 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -61.7 -45.82 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.01 101.02 10.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.17 -139.24 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.17 17.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -144.23 167.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 41' ' ' CYS . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.555 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 -79.81 -44.28 20.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -92.87 154.66 18.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.44 -99.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.45 4.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -162.77 123.88 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.5 m -57.68 130.04 44.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -155.81 167.23 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -168.52 157.95 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.17 71.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -127.56 121.89 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -168.08 124.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.84 79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.79 20.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -104.78 123.29 47.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -81.1 150.19 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.71 156.46 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.42 48.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -74.07 84.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.83 -14.62 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.89 151.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.67 37.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.764 ' O ' HG23 ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -134.95 74.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 27' ' ' GLN . 80.9 p -60.85 173.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.8 pm0 -33.2 108.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.16 90.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -157.97 174.22 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.89 174.25 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 31' ' ' THR . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . 12.7 mm-40 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.652 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.47 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.593 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 -71.89 -43.37 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.593 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -85.66 81.7 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -174.62 140.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 179.12 87.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 16.44 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 76' ' ' GLY . 52.4 p -76.18 48.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.5 t -48.34 -56.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -170.93 106.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -102.17 42.11 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.2 52.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -132.62 42.13 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -93.65 148.15 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.37 73.74 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.44 50.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.254 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 p -165.27 158.19 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.13 94.6 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -106.68 155.35 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -63.76 -44.37 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -93.15 83.53 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 20.1 p90 -74.25 86.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -136.98 158.71 72.3 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.75 162.44 42.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 24' ' ' THR . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -149.11 111.86 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -147.56 161.6 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 63.52 47.06 3.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.09 -117.51 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.87 171.26 45.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.438 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 39' ' ' ARG . 16.9 m -136.69 176.09 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 31' ' ' THR . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 -73.51 -42.35 61.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.63 50.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 p 43.03 40.59 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.68 174.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -119.99 41.45 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t 44.33 42.12 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -157.55 117.12 3.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -173.15 130.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.12 2.14 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -169.7 143.27 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -129.14 135.65 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 80.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.81 41.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.48 140.86 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -131.24 129.87 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -114.7 41.11 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -70.6 80.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.12 87.45 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -110.37 35.99 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.63 147.8 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.72 67.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HB3' ' C ' ' A' ' 22' ' ' SER . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.97 79.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -100.33 -55.8 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -109.62 124.08 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.53 100.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.59 166.92 33.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.447 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 39' ' ' ARG . 12.2 m -137.46 168.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.638 ' HG2' HG13 ' A' ' 30' ' ' VAL . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLN . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 57' ' ' THR . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.766 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 -82.0 -40.14 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.766 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -90.15 74.13 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.3 p -134.53 88.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.09 158.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.85 7.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -111.37 147.59 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -94.68 -51.54 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -167.78 111.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -142.39 132.5 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 41.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -106.48 81.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -153.57 120.88 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.33 137.9 13.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 98.23 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.9 t -50.68 111.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -101.99 138.07 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -164.01 118.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -110.24 86.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.62 132.81 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.39 107.24 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.52 150.44 76.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.22 69.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.783 ' O ' HG23 ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.62 95.06 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -111.61 -57.42 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -116.61 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.25 86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.04 167.39 29.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 39' ' ' ARG . 9.0 m -139.85 178.04 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' THR . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HG2' HG13 ' A' ' 30' ' ' VAL . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 57' ' ' THR . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 74' ' ' ALA . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.14 -43.35 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . . . -57.96 -46.85 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.9 m -72.45 -45.53 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.98 124.77 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.11 20.57 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.62 -55.36 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 m -153.62 140.39 19.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.79 0.246 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' HD3' ' A' ' 39' ' ' ARG . 19.9 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' THR . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.495 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.415 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLN . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.803 0.251 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 31' ' ' THR . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.472 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CG ' HG21 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.125 0 CA-C-O 120.791 0.246 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 24' ' ' THR . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' HG2' ' A' ' 39' ' ' ARG . 20.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' A' ' 30' ' ' VAL . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.592 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 49' ' ' THR . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 47' ' ' CYS . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.425 ' HG ' ' HE2' ' A' ' 32' ' ' TYR . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.749 0.229 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' THR . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' TYR . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.538 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 HE21 HD23 ' A' ' 51' ' ' LEU . 15.7 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.767 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.767 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 36' ' ' PRO . 54.6 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.765 0.236 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.7 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 31' ' ' THR . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' VAL . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' CYS . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.783 0.243 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.674 ' O ' HG23 ' A' ' 24' ' ' THR . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' THR . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' GLN . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.856 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.788 0.245 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 39' ' ' ARG . 15.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 30' ' ' VAL . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 41' ' ' CYS . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' HG22 ' A' ' 49' ' ' THR . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 44' ' ' CYS . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' HD13 ' A' ' 72' ' ' LEU . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.127 0 CA-C-O 120.85 0.271 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.78 ' O ' HG23 ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 31' ' ' THR . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 43' ' ' VAL . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' GLN . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.809 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.775 0.24 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' THR . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HG13 ' A' ' 30' ' ' VAL . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 49' ' ' THR . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 44' ' ' CYS . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HE ' ' A' ' 39' ' ' ARG . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.724 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.821 0.259 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.9 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' THR . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HG2' HG13 ' A' ' 30' ' ' VAL . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.481 ' CG ' HG21 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.144 0 CA-C-O 120.786 0.244 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' NE1' ' A' ' 37' ' ' TRP . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.849 ' O ' HG23 ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.1 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 31' ' ' THR . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' HG13 ' A' ' 30' ' ' VAL . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' THR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 49' ' ' THR . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 65' ' ' CYS . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.462 ' HB3' HD22 ' A' ' 51' ' ' LEU . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 69' ' ' PHE . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.691 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 57' ' ' THR . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.802 0.251 . . . . 0.0 112.29 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 31' ' ' THR . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.762 0.234 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 24' ' ' THR . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CD ' ' A' ' 39' ' ' ARG . 12.4 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' THR . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 1.5 mm-40 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.58 HH11 ' HB1' ' A' ' 52' ' ' ALA . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 41' ' ' CYS . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.543 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.58 ' HB1' HH11 ' A' ' 39' ' ' ARG . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.651 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.451 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.81 0.254 . . . . 0.0 112.374 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' THR . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 41' ' ' CYS . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' GLN . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.744 0.227 . . . . 0.0 112.362 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.5 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.687 HG13 ' HG2' ' A' ' 39' ' ' ARG . 31.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 31' ' ' THR . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.687 ' HG2' HG13 ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 41' ' ' CYS . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HB2' HG22 ' A' ' 49' ' ' THR . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 45' ' ' THR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 44' ' ' CYS . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 39' ' ' ARG . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.768 0.236 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 41' ' ' CYS . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.79 0.246 . . . . 0.0 112.322 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.764 ' O ' HG23 ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 31' ' ' THR . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . 9.3 mm100 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.417 HE21 HD23 ' A' ' 51' ' ' LEU . 15.7 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.652 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.47 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.765 0.235 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 24' ' ' THR . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 39' ' ' ARG . 16.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 31' ' ' THR . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.807 0.253 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HB3' ' C ' ' A' ' 22' ' ' SER . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 39' ' ' ARG . 12.2 m . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.638 ' HG2' HG13 ' A' ' 30' ' ' VAL . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLN . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 57' ' ' THR . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.171 0 CA-C-O 120.72 0.216 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.783 ' O ' HG23 ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 39' ' ' ARG . 9.0 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' THR . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HG2' HG13 ' A' ' 30' ' ' VAL . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 57' ' ' THR . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -136.17 131.95 35.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -149.92 148.74 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.66 -164.55 13.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 p 40.39 41.92 1.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -140.58 157.56 45.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 82.29 0.99 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 54.4 Cg_endo -69.74 175.97 7.38 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -126.38 95.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 8' ' ' PRO . 95.8 m-85 -135.09 122.49 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -165.78 124.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -146.7 115.8 6.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -99.47 103.72 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -113.8 -11.54 12.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -158.87 156.91 27.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.57 0.7 . . . . 0.0 111.11 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.454 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.78 142.36 47.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.645 2.23 . . . . 0.0 112.396 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -123.52 145.06 49.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.543 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.4 t -45.27 126.55 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -14.56 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.5 tpt180 -92.85 -58.0 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -92.77 -38.97 11.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 69.09 49.06 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.82 ' O ' HG23 ' A' ' 24' ' ' THR . 18.0 mmmt -94.67 -75.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.82 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -173.53 146.4 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.6 mt -134.79 85.56 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -103.7 -32.22 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -83.03 47.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.19 -101.18 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.537 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.76 -155.09 21.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG13 ' HD3' ' A' ' 39' ' ' ARG . 19.9 m -143.66 176.47 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.866 0.365 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 31' ' ' THR . 15.3 t -139.53 128.32 23.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 9.5 t80 -119.3 121.6 39.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.559 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.7 mtt-85 62.39 54.96 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.6 t70 52.7 38.11 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -149.37 143.82 17.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.583 0.706 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.495 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.78 128.2 15.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.438 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.8 m95 -132.19 148.57 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.1 m170 -74.94 120.07 19.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.487 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.8 mmm-85 -36.82 -42.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -73.39 -47.0 45.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 43' ' ' VAL . 63.6 m -58.17 -54.14 50.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.0 tp -47.75 93.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 41' ' ' CYS . 19.2 m -144.08 155.45 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.5 t -52.8 146.29 10.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.526 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.2 m -90.06 21.16 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.165 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.93 -54.23 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.1 p -101.43 -10.15 20.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.338 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 63.98 53.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.9 t -111.4 140.91 23.51 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 109.84 2.41 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.315 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.5 mt -88.75 14.25 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.74 99.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.39 37.22 92.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -118.38 156.3 29.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.777 0.322 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.7 tt0 -76.65 107.66 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.54 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 36.9 p90 -147.01 179.88 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.6 t -138.43 159.66 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.415 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 14.5 m -107.03 141.65 37.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 21.7 tpt180 -139.94 132.36 28.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 50.74 38.74 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 65.77 45.66 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -153.44 127.55 4.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.494 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.1 Cg_endo -69.79 114.38 3.69 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.293 . . . . 0.0 112.3 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.4 m-85 -121.76 133.12 54.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.676 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.7 p -76.54 152.6 35.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 55' ' ' GLN . 62.3 t -46.93 -36.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.74 -36.67 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 21.2 m -84.99 -47.41 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 92.5 t80 -48.53 -49.15 37.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.409 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -91.83 28.79 8.07 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.539 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.97 -38.1 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 mp -89.3 -60.63 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.502 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.2 m-85 -72.23 -42.31 65.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -86.64 41.02 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -58.8 174.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.27 143.1 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.38 5.65 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.306 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.2 m 53.87 42.54 31.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.5 p -94.37 148.03 22.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.471 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -165.97 131.54 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 t -126.85 154.42 44.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.67 -153.31 6.82 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 t -147.83 147.82 30.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.913 0.387 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.8 t -162.06 157.69 23.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.96 68.1 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 175.1 8.6 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.669 2.246 . . . . 0.0 112.34 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.3 p -52.5 126.52 19.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.8 -49.56 17.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -101.33 121.79 42.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -85.16 42.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -97.19 126.98 42.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -125.59 -14.9 6.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.63 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -137.53 161.83 58.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.63 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.0 Cg_endo -69.74 157.74 59.39 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.383 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -134.47 140.79 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 44.6 t -45.11 125.24 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -17.81 47.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 18.7 tpt180 -90.9 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.27 -40.29 16.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 69.29 50.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 24' ' ' THR . 42.3 mtmt -100.3 -71.7 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.9 p -169.73 158.36 7.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -148.2 116.5 6.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.1 p -129.31 -61.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -108.75 154.9 21.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 44.19 66.84 1.22 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.59 160.94 22.3 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.1 m -139.25 176.07 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 111.159 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 31' ' ' THR . 15.2 t -137.63 125.78 23.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.546 ' CE2' ' HG3' ' A' ' 33' ' ' ARG . 36.2 t80 -119.62 121.57 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.546 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 33.1 mtm105 64.81 50.35 2.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 56.15 34.04 23.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -145.55 143.48 20.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.96 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.7 129.42 17.62 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.346 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -132.22 148.68 52.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.7 m170 -75.97 120.01 20.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -38.52 -39.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 10.2 pt-20 -75.37 -45.55 38.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 54.0 m -60.88 -53.38 58.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.56 101.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.0 m -151.81 155.66 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 54.1 t -53.4 150.58 6.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.8 m -94.81 20.82 8.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.34 -52.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.8 p -104.26 -10.6 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 64.98 54.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.8 t -112.11 140.72 23.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.58 0.705 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.85 2.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.731 2.287 . . . . 0.0 112.282 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 56' ' ' PHE . 4.6 mt -81.91 8.76 9.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.23 104.26 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.078 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.68 34.08 82.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -126.02 152.75 45.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -77.52 121.03 23.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 51' ' ' LEU . 48.9 p90 -148.93 -179.51 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.4 t -136.28 153.73 51.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.472 ' HG ' ' HE1' ' A' ' 32' ' ' TYR . 7.0 m -100.65 135.29 42.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.3 tpt180 -140.59 131.22 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 48.31 48.14 19.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 57.18 32.68 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -139.36 124.59 11.73 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 112.98 3.23 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 56.5 m-85 -117.39 139.38 50.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 8.7 p -80.69 158.44 25.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.5 t -53.9 -36.8 31.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.514 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.13 -30.8 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.6 m -88.53 -51.06 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.444 ' CG ' HG21 ' A' ' 57' ' ' THR . 85.4 t80 -47.58 -44.89 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.588 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -92.53 25.73 17.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.531 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -132.46 -39.66 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.9 mp -85.26 -63.09 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.557 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 10.3 m-85 -72.77 -42.99 63.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.588 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -93.01 81.51 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.5 p -105.75 42.59 1.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.5 133.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.86 36.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.362 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 79' ' ' SER . 38.8 t 58.39 42.65 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 78' ' ' SER . 3.1 m -35.49 -44.85 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.099 -0.834 . . . . 0.0 112.504 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -81.17 42.57 0.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -104.04 171.21 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.18 126.92 4.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 m -161.29 141.65 10.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -127.22 152.7 47.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.17 68.77 0.41 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 132.0 22.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.1 t -84.98 84.9 7.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -48.12 109.24 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.937 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -62.78 143.67 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -128.26 -43.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.57 119.37 7.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -98.24 89.14 4.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -166.31 152.72 8.37 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.563 0.697 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 157.87 58.91 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -131.96 138.96 48.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 22' ' ' SER . 45.7 t -41.0 125.02 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -17.96 50.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.428 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.8 tpt180 -89.67 -62.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.09 -39.23 14.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.3 t 67.83 48.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.73 ' O ' HG23 ' A' ' 24' ' ' THR . 34.0 mmtm -91.9 -75.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -171.63 145.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.494 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.7 mt -134.98 41.58 2.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' LEU . 11.0 p -34.4 -57.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -151.13 149.1 29.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.3 84.81 0.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.42 -174.99 32.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' HG2' ' A' ' 39' ' ' ARG . 20.7 m -136.18 176.81 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 31' ' ' THR . 9.6 t -137.91 122.9 19.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.514 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 2.5 t80 -116.95 120.79 39.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 47.1 mtp180 62.3 54.38 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 53.46 36.91 24.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 41.3 mt-30 -148.7 142.36 16.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.494 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.1 Cg_endo -69.71 129.2 17.23 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -132.38 153.96 50.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.8 m170 -80.45 118.52 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.493 ' HG2' HG13 ' A' ' 30' ' ' VAL . 5.6 mtm105 -35.09 -41.5 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -73.82 -49.99 22.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.7 m -56.34 -52.63 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.5 tp -49.42 89.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.5 m -139.56 159.0 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.96 160.24 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.592 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 13.9 m -95.34 -11.28 28.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.39 -58.9 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.526 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HG22 ' A' ' 49' ' ' THR . 26.6 p -90.97 -17.94 25.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.731 0.3 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 66.29 47.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.453 HG22 ' SG ' ' A' ' 47' ' ' CYS . 15.3 t -101.15 141.93 23.6 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.06 1.77 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.2 mt -84.61 13.24 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.13 98.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.76 36.44 74.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -121.75 154.77 36.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.07 113.41 13.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.8 p90 -148.8 -179.91 7.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.3 t -139.24 153.98 47.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.126 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.425 ' HG ' ' HE2' ' A' ' 32' ' ' TYR . 7.0 m -104.1 140.54 37.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.7 OUTLIER -139.03 134.33 32.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.48 39.66 17.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 64.81 46.59 2.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -155.01 126.94 3.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.656 0.741 . . . . 0.0 110.835 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.84 112.85 3.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.592 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 39.3 m-85 -119.17 129.06 54.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.748 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.7 p -72.74 154.41 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.2 t -49.27 -34.45 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.748 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.95 -37.63 87.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 50.6 m -85.46 -51.36 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -45.24 -47.97 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.51 28.56 8.16 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -135.01 -42.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -82.4 -61.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.535 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 18.8 m-85 -71.12 -43.95 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.29 88.66 7.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.2 m -87.61 134.31 33.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -89.86 -161.63 37.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.49 34.36 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.264 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 m -120.14 96.93 5.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.6 p -146.88 171.51 15.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.497 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 p -116.82 171.62 7.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -160.9 110.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.24 41.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.3 m -130.47 80.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 t -130.83 -52.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.72 156.19 7.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.456 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 149.85 67.67 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -121.03 135.85 55.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -123.64 40.52 3.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -93.17 104.36 16.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -92.46 -44.09 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -125.72 157.22 37.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -107.74 118.58 37.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.482 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -142.66 157.3 62.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.482 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.72 162.71 41.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -137.13 139.04 40.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -42.63 128.03 3.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.95 -17.12 62.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -90.71 -58.13 2.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -91.09 -40.4 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 67.42 48.14 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 84.4 mttt -95.85 -75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -168.8 149.55 4.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.1 mt -135.06 45.48 2.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.4 p -49.95 -57.83 6.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -72.39 85.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 39.9 -136.52 1.64 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' ' NH1' ' A' ' 39' ' ' ARG . . . 135.0 -169.2 23.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.1 m -123.59 178.94 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 31' ' ' THR . 14.0 t -145.48 118.74 8.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HD2' ' A' ' 33' ' ' ARG . 3.6 t80 -114.11 120.05 39.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.569 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 49.3 mtt-85 63.78 53.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.49 37.45 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' TYR . 24.5 mt-30 -151.68 142.34 15.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.73 132.36 23.21 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.6 m95 -132.74 155.77 48.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 7.5 m170 -84.17 119.83 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' NH1' ' HA2' ' A' ' 29' ' ' GLY . 0.7 OUTLIER -38.77 -39.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 3.6 pt-20 -74.82 -37.84 62.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 38' ' ' HIS . 54.8 m -69.33 -52.84 23.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.3 tp -52.41 88.7 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 41' ' ' CYS . 27.1 m -136.6 153.55 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.0 t -53.81 146.56 13.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.538 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.9 m -90.04 20.27 4.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.87 -54.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -101.26 -10.96 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 64.79 51.92 1.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -107.92 141.12 22.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.572 0.701 . . . . 0.0 111.139 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 112.84 3.2 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.597 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.2 mt -92.74 11.97 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.57 97.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 70.25 35.45 69.98 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 HE21 HD23 ' A' ' 51' ' ' LEU . 15.7 tt0 -118.66 157.04 28.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.722 0.296 . . . . 0.0 110.935 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -77.12 109.21 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.597 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 41.0 p90 -148.94 179.47 7.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.535 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.9 t -136.29 164.33 28.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.2 m -111.78 133.83 53.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' HG3' ' CE2' ' A' ' 73' ' ' PHE . 10.8 mmt180 -130.83 136.44 48.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 48.45 38.13 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 66.16 47.62 1.84 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -155.17 129.98 5.02 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 111.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 46.5 m-85 -118.26 139.63 51.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.767 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -81.84 149.23 28.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.9 t -44.09 -35.78 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.767 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.98 -40.34 93.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.9 m -84.15 -45.63 12.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.535 ' CD1' HG21 ' A' ' 57' ' ' THR . 79.4 t80 -46.64 -51.85 14.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.584 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.56 29.34 6.81 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.535 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -134.9 -38.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.948 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -88.22 -60.62 1.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' CE2' ' HG3' ' A' ' 59' ' ' ARG . 18.9 m-85 -74.99 -43.8 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.584 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -85.25 163.44 18.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.6 t 62.93 41.41 8.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -177.67 -103.48 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -174.61 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.703 2.268 . . . . 0.0 112.346 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.5 p -98.5 167.05 11.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' GLY . 69.2 m -151.46 120.66 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.438 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.7 p -132.99 163.03 30.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.387 . . . . 0.0 110.826 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -148.6 145.2 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.78 94.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -159.35 122.74 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -125.66 171.73 10.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.85 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.61 157.95 23.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 163.35 38.58 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.7 2.266 . . . . 0.0 112.365 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 32.1 p -117.43 126.77 53.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -89.91 -51.66 5.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -129.69 108.11 9.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -80.82 177.68 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -132.46 83.28 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -103.93 -16.12 15.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.78 148.68 1.77 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.582 0.705 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HB2' ' HB3' ' A' ' 36' ' ' PRO . 54.6 Cg_endo -69.71 159.96 51.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.637 2.225 . . . . 0.0 112.37 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -129.15 138.4 51.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -44.77 127.25 6.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.5 -15.17 62.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.417 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 7.5 tpm_? -91.17 -54.98 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.5 m -96.49 -39.88 9.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.526 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.1 t 69.38 51.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 24' ' ' THR . 46.4 mtmt -102.16 -72.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -170.41 150.84 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.99 34.56 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HG2' ' A' ' 27' ' ' GLN . 2.6 t -68.19 -45.31 73.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 26' ' ' THR . 33.9 mm-40 -95.98 95.54 8.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.17 128.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.433 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.84 166.87 39.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.447 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.7 m -136.08 178.12 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 31' ' ' THR . 12.8 t -139.38 121.95 16.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.0 t80 -118.66 125.28 49.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 62.48 49.01 4.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.1 t70 56.91 34.05 24.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -146.08 143.27 18.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.622 0.725 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.7 130.45 19.43 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.718 2.279 . . . . 0.0 112.385 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -132.38 152.45 51.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m170 -79.14 117.99 20.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HG2' HG13 ' A' ' 30' ' ' VAL . 27.4 mtm180 -34.47 -37.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 38' ' ' HIS . 14.6 mt-10 -79.53 -52.61 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' VAL . 92.3 m -53.66 -49.94 66.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.9 tp -52.47 103.63 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 41' ' ' CYS . 34.0 m -152.69 159.28 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 48.0 t -59.58 146.15 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.534 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.3 m -90.62 19.95 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.17 -51.96 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 23.3 p -107.76 -13.23 15.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 69.19 54.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.7 t -109.52 141.14 22.96 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.576 0.703 . . . . 0.0 111.161 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 105.2 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.376 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.3 mt -83.8 14.28 4.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.78 99.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.064 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.02 37.58 93.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -120.04 155.84 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.728 0.299 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.3 mp0 -76.56 110.95 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.7 p90 -148.93 -179.6 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.524 HG21 ' CG ' ' A' ' 69' ' ' PHE . 7.2 t -132.75 161.66 33.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 p -116.2 134.49 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 73' ' ' PHE . 5.5 ttt180 -140.58 142.72 35.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER 48.29 39.35 12.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 61.2 33.82 19.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -140.45 126.46 11.67 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.72 119.6 6.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.323 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 48.3 m-85 -125.23 139.37 53.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.423 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 12.9 p -79.64 154.3 28.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.4 t -50.14 -38.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.47 -30.71 71.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 6.6 m -88.63 -52.25 5.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CG ' HG21 ' A' ' 57' ' ' THR . 88.8 t80 -46.17 -46.73 17.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.422 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.16 27.42 8.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -134.3 -47.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.926 0.393 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 72' ' ' LEU . 8.0 mp -75.45 -58.21 3.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 59' ' ' ARG . 17.7 m-85 -76.97 -43.41 35.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.422 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -96.96 125.36 41.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.6 m 60.76 40.9 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -97.24 -86.97 1.83 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -42.15 3.68 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.355 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.7 m -144.85 173.41 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -111.95 117.93 34.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.522 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -103.95 152.2 22.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -125.61 151.53 46.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.15 114.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -172.87 120.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -162.91 156.81 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.21 87.79 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.18 62.43 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.726 2.284 . . . . 0.0 112.335 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.8 p -104.69 136.44 44.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -95.34 87.08 4.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -142.83 111.93 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -85.02 -55.26 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -101.81 144.74 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -146.52 117.4 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -130.21 155.35 80.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 0.0 111.097 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.78 166.62 27.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.733 2.289 . . . . 0.0 112.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -135.65 141.41 45.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' ' 22' ' ' SER . 41.9 t -43.8 128.49 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.18 -16.9 62.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -91.27 -57.33 2.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -90.74 -41.71 11.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.51 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.8 t 70.01 49.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.674 ' O ' HG23 ' A' ' 24' ' ' THR . 17.4 mttp -99.93 -75.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -167.78 150.06 5.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.5 mt -134.99 47.35 2.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p -59.26 -31.52 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -91.11 164.57 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.99 115.63 4.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -158.86 10.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 m -134.08 174.39 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 111.148 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 31' ' ' THR . 12.6 t -138.26 124.95 20.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 t80 -118.63 120.85 38.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 20.4 mtp180 62.32 54.23 2.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 53.05 40.19 30.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -151.92 141.22 14.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.8 130.63 19.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.659 2.239 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -132.06 153.17 50.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.6 m170 -77.62 119.88 21.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 38' ' ' HIS . 16.5 mtm105 -37.64 -40.94 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' VAL . 8.4 pt-20 -75.1 -48.52 23.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' O ' ' N ' ' A' ' 43' ' ' VAL . 82.3 m -56.6 -53.06 61.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.0 tp -48.88 87.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' A' ' 41' ' ' CYS . 17.7 m -139.67 155.39 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.7 t -48.76 158.75 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 14.0 m -95.48 -8.04 36.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.34 -56.22 0.58 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.95 -16.4 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 66.4 42.85 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.8 t -97.33 141.27 22.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.4 Cg_endo -69.79 111.74 2.9 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.6 mt -89.64 11.94 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.85 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.97 35.49 79.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -121.93 154.74 36.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.4 tt0 -76.57 111.95 12.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.471 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 39.6 p90 -147.93 -179.87 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.586 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -137.11 161.37 36.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.8 m -111.34 141.94 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -140.09 135.89 33.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 45.72 41.92 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 63.52 44.28 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -151.52 124.19 4.08 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.826 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 116.26 4.48 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 61.1 m-85 -120.99 132.89 55.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.856 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.2 p -75.1 152.59 38.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 55' ' ' GLN . 65.2 t -47.68 -26.07 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.856 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -70.53 -41.16 72.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 78.4 m -84.36 -45.06 13.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.586 ' CD1' HG21 ' A' ' 57' ' ' THR . 78.4 t80 -47.19 -47.56 24.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -94.12 28.52 10.5 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -135.02 -35.22 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.355 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -89.61 -59.42 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 13.2 m-85 -78.9 -43.08 25.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -72.83 152.75 41.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.9 m -127.39 176.34 7.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.95 -121.89 3.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.26 24.95 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.349 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m -69.45 101.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.9 m -103.01 87.25 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.819 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.459 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 m -79.89 171.81 14.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -149.57 141.93 24.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.28 -88.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t 64.65 43.25 4.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -80.71 42.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.48 79.52 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.54 16.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.4 p -110.63 42.02 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -133.22 138.37 46.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.09 103.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.8 p30 -173.08 146.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mttt 60.4 38.54 19.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 9.1 t80 -126.51 -24.01 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.0 148.4 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.596 0.712 . . . . 0.0 111.066 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 159.95 51.48 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.354 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -147.84 138.61 23.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.8 t -49.96 127.71 17.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.59 -15.11 60.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -92.97 -55.09 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.2 m -93.54 -40.95 10.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.8 t 72.09 44.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.837 ' O ' HG23 ' A' ' 24' ' ' THR . 31.9 mtpt -94.18 -75.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.837 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -174.35 148.16 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.59 43.52 2.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.3 p -53.79 -48.14 70.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -79.44 166.57 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.47 126.74 1.73 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.13 -170.08 11.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.507 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG13 ' HG2' ' A' ' 39' ' ' ARG . 15.7 m -130.85 174.44 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.0 111.126 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 t -140.46 129.84 23.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 20.5 t80 -122.15 119.8 32.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' HD2' ' CZ ' ' A' ' 32' ' ' TYR . 19.5 mtt-85 64.18 54.31 1.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.9 t0 53.33 38.56 28.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -150.7 144.19 17.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.637 0.732 . . . . 0.0 110.87 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.492 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.76 128.31 15.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 14.7 m95 -132.02 149.17 52.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.4 m170 -74.0 117.19 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.816 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.67 ' HG2' HG13 ' A' ' 30' ' ' VAL . 25.0 mtp180 -35.55 -35.44 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.7 mt-10 -79.55 -47.15 16.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' VAL . 60.8 m -58.71 -51.96 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.8 tp -51.14 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 41' ' ' CYS . 21.9 m -151.44 150.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.483 ' HB2' HG22 ' A' ' 49' ' ' THR . 28.2 t -45.07 159.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.587 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.7 m -96.64 -9.16 29.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.25 -58.14 0.62 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.96 -17.63 22.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 67.07 52.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.483 HG22 ' HB2' ' A' ' 44' ' ' CYS . 14.5 t -104.18 141.76 23.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.548 0.69 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 103.55 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.697 2.265 . . . . 0.0 112.316 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.9 mt -83.26 15.16 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.01 98.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.78 38.31 94.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -119.0 155.4 31.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -74.27 107.33 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 32.7 p90 -146.69 179.48 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.8 t -134.55 164.19 28.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.6 p -114.76 147.12 40.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -138.82 128.89 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.45 39.0 2.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 72.01 40.42 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -143.67 120.75 6.68 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.6 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.587 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -119.59 129.11 54.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -73.93 149.87 41.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.6 t -45.33 -35.08 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.747 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.07 -38.4 91.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.42 ' O ' HD13 ' A' ' 72' ' ' LEU . 28.9 m -83.87 -47.39 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -46.02 -53.73 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.541 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -87.89 22.36 18.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.436 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ALA . 2.5 tt0 -125.89 -31.27 2.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.91 0.386 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.435 ' N ' HD12 ' A' ' 72' ' ' LEU . 7.3 mp -93.79 -60.16 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -75.55 -43.67 47.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -83.61 80.12 9.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.0 p -164.68 142.18 6.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -172.14 -121.28 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.22 8.11 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.359 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -150.46 167.76 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.2 m -108.6 136.25 48.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.507 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.0 m 34.61 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -104.45 155.78 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.54 -174.8 13.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.547 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -123.88 103.26 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -128.09 128.97 45.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.06 88.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -177.28 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.635 2.223 . . . . 0.0 112.302 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.3 m -128.96 123.9 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -107.06 100.89 10.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -143.07 147.07 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.481 ' CG ' ' N ' ' A' ' 13' ' ' LYS . 1.1 p30 -62.29 -53.65 52.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 12' ' ' ASN . 0.3 OUTLIER -124.6 168.84 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -136.4 141.4 43.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.513 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -172.22 158.32 4.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.513 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 54.2 Cg_endo -69.74 148.79 66.0 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.713 2.275 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -125.66 139.86 53.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 22' ' ' SER . 47.0 t -44.22 125.97 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.57 -16.78 58.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.444 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.9 tpt180 -89.82 -58.21 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.17 -39.73 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 69.2 48.14 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.78 ' O ' HG23 ' A' ' 24' ' ' THR . 26.8 mmmt -94.45 -74.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.78 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -169.55 148.31 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.504 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -134.97 81.76 1.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.3 p -86.15 -47.01 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 28' ' ' GLY . 28.1 mm-40 -62.45 178.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' GLN . . . -37.72 -44.69 1.38 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.53 170.35 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 m -135.47 174.71 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 111.171 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 31' ' ' THR . 11.4 t -139.07 124.79 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 63' ' ' PRO . 62.2 t80 -118.16 114.08 22.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 46.5 mtm180 67.48 52.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 55.85 35.62 25.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -147.59 141.81 16.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.3 Cg_endo -69.77 128.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -131.74 153.68 49.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.9 m170 -79.62 118.37 21.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -39.26 -33.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -80.35 -41.92 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 43' ' ' VAL . 74.5 m -66.61 -51.47 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 tp -50.47 93.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.4 m -141.61 155.58 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 51.6 t -52.97 149.31 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 4.8 m -93.15 20.18 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.151 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.03 -49.91 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.7 p -104.69 -11.27 16.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.736 0.303 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 64.54 48.21 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.2 t -103.75 140.9 21.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 111.183 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 106.77 1.72 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.693 2.262 . . . . 0.0 112.38 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.7 mt -87.81 15.25 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.12 98.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.56 37.5 93.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.93 159.4 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.335 . . . . 0.0 110.861 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 66' ' ' VAL . 7.2 pt20 -76.6 106.65 8.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 47.0 p90 -146.92 178.36 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.1 t -139.97 151.45 45.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -95.24 143.37 26.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.6 tpt85 -140.65 131.62 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 48.25 39.56 12.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.419 ' HA ' ' NH1' ' A' ' 33' ' ' ARG . 8.2 mt-10 66.02 45.47 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -154.47 127.66 4.24 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.71 115.27 4.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.74 2.294 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 43.2 m-85 -123.23 131.83 53.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.809 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.2 p -74.57 148.05 41.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 55' ' ' GLN . 64.3 t -43.18 -31.43 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.809 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -65.5 -41.1 93.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.3 m -84.19 -38.32 20.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -55.42 -45.74 76.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -94.13 27.3 13.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -134.86 -39.17 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mp -88.63 -70.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.4 m-85 -60.55 -42.99 97.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.29 90.98 4.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -104.18 -49.43 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.41 -157.31 9.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 160.61 49.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -89.01 118.86 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.3 m -127.08 138.07 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.795 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.489 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 p -113.56 115.87 28.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.42 148.06 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.64 -167.67 37.68 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.477 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -169.67 163.25 10.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.817 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -121.56 165.33 15.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.82 83.45 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 119.71 6.61 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.4 p -111.86 125.99 54.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -160.89 175.37 12.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -117.52 84.55 2.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -58.4 103.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.33 145.62 16.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -116.81 -10.4 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.68 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -152.53 163.18 24.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.68 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.76 170.04 17.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -141.88 139.57 32.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 22' ' ' SER . 46.5 t -41.24 125.99 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.44 -17.34 53.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.6 tpt180 -90.77 -60.71 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -88.62 -40.2 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.6 t 68.27 51.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' HG23 ' A' ' 24' ' ' THR . 24.5 mtpp -98.91 -73.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -166.45 156.95 12.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 9.3 mt -148.08 139.69 23.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLN . 24.0 p -129.93 165.13 22.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' THR . 67.5 mt-30 -34.47 110.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.83 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -53.41 -175.27 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG13 ' HG2' ' A' ' 39' ' ' ARG . 21.6 m -132.21 176.38 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 111.112 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -139.27 130.79 27.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.594 ' CD1' ' HG2' ' A' ' 33' ' ' ARG . 27.8 t80 -125.55 121.02 32.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.594 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER 68.07 46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.6 t70 59.06 36.11 24.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -149.74 146.83 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.502 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 129.52 17.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.311 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.12 152.03 51.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.9 m170 -77.75 120.65 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HG13 ' A' ' 30' ' ' VAL . 21.7 mtp180 -41.91 -26.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.26 -43.77 11.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 43' ' ' VAL . 61.1 m -63.92 -50.4 68.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.08 86.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' A' ' 41' ' ' CYS . 20.0 m -139.38 152.12 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.45 ' HB2' HG22 ' A' ' 49' ' ' THR . 33.6 t -46.08 159.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 4.0 m -96.76 -8.79 30.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -106.4 -56.43 0.65 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.513 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.9 p -95.28 -15.35 23.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 65.5 45.73 2.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 44' ' ' CYS . 9.3 t -98.51 141.33 22.75 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.77 109.37 2.3 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -88.52 11.38 17.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HB1' ' HE ' ' A' ' 39' ' ' ARG . . . -44.22 99.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.04 36.78 81.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.476 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -122.15 155.6 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.63 112.42 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 44.1 p90 -148.35 179.75 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.2 t -135.96 155.96 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.169 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.449 ' OG ' ' CZ ' ' A' ' 33' ' ' ARG . 37.0 p -105.54 136.75 44.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.3 133.17 42.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 49.16 39.82 16.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 65.05 47.84 2.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.2 129.33 4.71 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.506 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.72 111.66 2.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.574 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 40.8 m-85 -119.3 128.8 54.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.724 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.9 p -72.73 154.31 40.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.4 t -48.66 -34.9 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.724 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.2 -39.8 93.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.8 m -83.47 -50.25 8.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CD1' HG21 ' A' ' 57' ' ' THR . 83.6 t80 -45.01 -49.33 11.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.569 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.66 28.8 7.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -134.98 -44.04 0.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -81.06 -58.69 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -77.11 -43.31 34.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -91.08 78.91 5.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.2 t -92.36 -55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -114.24 88.61 0.48 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 93.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.3 t 49.12 41.18 19.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 t -90.42 146.72 23.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.145 -0.809 . . . . 0.0 112.468 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -161.04 128.0 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.2 p -167.6 137.2 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.1 161.11 33.67 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -157.33 120.35 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 p -148.43 153.59 38.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.86 137.02 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 79.34 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.311 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 81.4 m -55.99 144.75 27.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -123.58 80.58 1.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 pm0 -108.65 40.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.12 -57.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.882 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.3 tptt -90.82 44.55 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -82.1 -15.07 54.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.63 153.16 9.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.701 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' C ' HD12 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.79 146.34 59.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -122.01 140.05 52.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.2 t -44.88 123.78 4.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.08 -12.16 11.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 10.6 tpt180 -95.05 -59.19 1.96 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -93.6 -37.41 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.527 ' N ' ' O ' ' A' ' 18' ' ' CYS . 5.3 t 68.15 45.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 24' ' ' THR . 51.5 mmtt -92.36 -75.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.21 149.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -135.02 33.96 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HG2' ' A' ' 27' ' ' GLN . 2.6 t -65.97 -44.21 85.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' HG2' HG23 ' A' ' 26' ' ' THR . 10.1 mm100 -97.52 98.47 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.24 157.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' N ' ' HE ' ' A' ' 39' ' ' ARG . . . 164.03 170.64 29.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.9 m -133.59 176.34 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 111.126 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 31' ' ' THR . 12.1 t -138.19 122.9 18.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.9 t80 -116.83 125.42 51.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 59.43 52.31 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.817 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 16.3 t0 54.77 35.8 24.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 32' ' ' TYR . 21.4 mt-30 -146.44 142.63 17.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.643 2.229 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.8 m95 -132.32 148.84 52.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.469 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -76.22 119.06 19.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.551 ' HG2' HG13 ' A' ' 30' ' ' VAL . 22.3 mtt180 -35.62 -41.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -74.8 -50.1 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 72.6 m -55.48 -53.29 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.0 tp -48.64 104.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -154.17 160.79 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.81 145.28 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.582 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.7 m -88.48 20.4 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.81 -57.08 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.519 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 26.0 p -97.42 -12.17 23.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.778 0.323 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 65.65 52.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -110.13 140.91 22.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 0.0 111.113 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 108.83 2.18 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.695 2.263 . . . . 0.0 112.388 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.2 mt -85.56 13.74 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -43.59 98.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.48 38.52 94.91 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -118.73 157.0 28.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -77.53 112.77 14.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.4 p90 -148.59 -179.06 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.481 HG21 ' CG ' ' A' ' 69' ' ' PHE . 9.4 t -138.67 151.07 46.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.167 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.9 m -95.57 135.83 36.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.574 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.2 tpt180 -139.58 137.3 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 48.7 37.21 9.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 65.09 33.15 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -143.83 132.63 11.27 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.5 Cg_endo -69.8 122.93 9.59 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.307 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 59.7 m-85 -129.65 131.62 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.1 p -74.29 149.73 40.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.2 t -43.92 -37.75 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.96 -38.21 85.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 32.8 m -85.11 -52.18 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.481 ' CG ' HG21 ' A' ' 57' ' ' THR . 63.7 t80 -46.04 -47.39 16.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.73 27.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -135.0 -35.39 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.857 0.36 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -91.95 -65.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.9 m-85 -66.14 -44.19 84.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.11 162.05 13.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.4 p -71.38 143.47 50.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.4 -167.16 11.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 9.0 0.65 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.679 2.253 . . . . 0.0 112.321 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.5 m -91.04 89.89 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.0 t -85.41 144.23 28.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -152.91 161.91 41.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 t -110.16 -48.68 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.09 -173.21 24.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -125.4 -56.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 t 53.47 42.35 31.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.69 118.12 4.67 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 127.72 15.02 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.273 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -174.96 108.92 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -141.97 119.63 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -115.28 107.88 15.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -81.46 90.64 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -139.38 140.81 37.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -120.4 40.8 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -123.93 152.23 66.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.99 64.61 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -130.81 141.59 50.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 51.3 t -43.4 135.65 3.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' NE1' ' A' ' 37' ' ' TRP . . . -78.57 14.09 1.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -125.64 -48.87 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.6 m -98.79 -42.88 6.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t 74.36 49.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.849 ' O ' HG23 ' A' ' 24' ' ' THR . 33.8 mttm -100.53 -75.26 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.849 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -173.58 148.65 1.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -134.81 82.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.9 p -104.09 -48.97 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -76.63 80.43 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.4 -126.1 18.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.32 176.54 23.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG13 ' HG2' ' A' ' 39' ' ' ARG . 19.1 m -137.83 177.33 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 31' ' ' THR . 13.7 t -137.34 124.82 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CZ ' ' HG3' ' A' ' 33' ' ' ARG . 1.3 t80 -116.93 122.29 43.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.493 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 18.7 mtt-85 61.61 55.03 2.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 52.78 35.89 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.417 ' O ' ' N ' ' A' ' 32' ' ' TYR . 17.1 mt-30 -147.29 144.44 19.6 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.593 0.711 . . . . 0.0 110.937 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.75 126.81 13.75 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.462 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.6 m95 -131.45 149.51 52.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 41' ' ' CYS . 5.3 m170 -76.21 116.53 16.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.604 ' HG2' HG13 ' A' ' 30' ' ' VAL . 42.0 mtp85 -36.61 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.491 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 19.3 pt-20 -79.68 -43.7 22.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 59.0 m -63.0 -52.55 62.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -49.7 100.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 41' ' ' CYS . 31.6 m -148.91 160.05 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.14 147.01 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 45' ' ' THR . 14.1 m -91.94 20.15 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.3 -42.35 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' HG22 ' A' ' 49' ' ' THR . 19.0 p -111.94 -10.72 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 64.12 46.62 3.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' SG ' ' A' ' 47' ' ' CYS . 12.8 t -105.9 140.97 21.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.557 0.694 . . . . 0.0 111.137 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 105.77 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 65' ' ' CYS . 4.8 mt -83.83 13.83 4.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.49 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -37.22 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.65 43.27 96.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 55' ' ' GLN . 1.3 tp60 -113.78 152.75 30.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 7.0 pt20 -72.1 84.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.462 ' HB3' HD22 ' A' ' 51' ' ' LEU . 22.9 p90 -124.29 177.76 5.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.433 HG21 ' CD1' ' A' ' 69' ' ' PHE . 5.1 t -135.39 156.42 48.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 m -102.45 139.96 37.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 10.1 tpt180 -140.22 133.7 30.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 48.86 35.73 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 66.85 48.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -156.6 129.27 4.24 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 54.1 Cg_endo -69.75 115.77 4.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.37 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 53.1 m-85 -124.49 132.68 53.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 2.1 p -75.71 153.6 36.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 55' ' ' GLN . 32.0 t -47.35 -37.66 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.691 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -60.52 -38.3 83.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.4 m -83.93 -48.68 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' A' ' 57' ' ' THR . 86.7 t80 -44.83 -48.86 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.85 28.7 8.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 3.2 mm-40 -134.97 -41.79 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -84.47 -63.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.573 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 11.2 m-85 -71.93 -44.26 63.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.42 120.6 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.8 t -66.59 82.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.22 170.43 53.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 88.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.672 2.248 . . . . 0.0 112.289 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' SER . 1.9 m -155.26 175.55 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 78' ' ' SER . 30.8 t -36.64 -59.71 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.467 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -127.68 107.49 9.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -116.53 158.44 23.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.23 161.84 20.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 m -132.41 93.34 3.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.918 0.39 . . . . 0.0 110.815 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -154.11 129.55 9.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.83 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.22 133.89 12.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.7 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.25 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.6 m -89.94 97.97 11.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -100.64 174.68 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -108.23 85.06 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -42.92 115.27 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -93.3 155.02 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -122.22 -14.9 7.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -171.49 158.1 4.72 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.2 Cg_endo -69.85 148.7 65.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.29 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -128.75 140.27 51.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.1 t -45.08 126.83 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.76 -16.34 60.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.4 tpt180 -91.03 -56.84 3.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.9 m -92.91 -40.64 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 69.2 47.71 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' ' 24' ' ' THR . 40.8 mtpt -96.13 -75.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.1 p -169.28 150.2 4.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.7 mt -134.93 96.08 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.5 p -115.81 -59.1 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -94.81 121.35 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 54.78 97.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.63 155.87 23.31 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.6 m -136.01 175.66 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.938 0.399 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 31' ' ' THR . 13.3 t -137.8 125.56 22.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' CE2' ' HD3' ' A' ' 63' ' ' PRO . 28.8 t80 -118.75 117.07 27.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 45.4 mtm180 67.05 54.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 53.55 36.55 23.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 32' ' ' TYR . 38.4 mt-30 -150.33 145.16 18.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.8 129.07 16.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.649 2.232 . . . . 0.0 112.36 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.518 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 15.5 m95 -132.18 152.55 51.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.8 m170 -79.46 120.03 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mtp-105 -38.35 -38.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.31 -46.45 22.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 78.8 m -60.75 -53.19 60.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.0 tp -50.66 94.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.3 m -141.17 158.62 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.1 t -56.95 141.82 43.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 45' ' ' THR . 14.4 m -84.63 20.05 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.45 -57.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.5 p -97.91 -9.09 26.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 62.99 49.67 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.4 t -105.31 141.5 22.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.514 0.673 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 112.04 2.96 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.307 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 3.4 mt -93.92 15.83 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.97 95.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.37 36.69 78.67 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -116.54 155.57 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -74.86 108.37 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.534 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 34.2 p90 -148.6 178.55 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.5 t -134.01 161.82 33.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.8 p -114.2 144.17 43.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 tpm_? -140.63 133.55 29.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 48.76 40.52 16.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 64.8 47.23 2.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -151.98 124.39 3.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.623 0.725 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 32' ' ' TYR . 54.0 Cg_endo -69.8 114.22 3.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 45.8 m-85 -122.25 139.71 53.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 5.0 p -83.72 152.53 24.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.1 t -46.5 -38.75 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.632 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.12 -38.97 80.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.0 m -83.61 -52.01 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -44.74 -49.69 10.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -89.44 28.72 6.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 67' ' ' ALA . 2.9 mm-40 -135.0 -45.0 0.72 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -80.28 -58.25 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 19.3 m-85 -77.39 -44.09 30.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.576 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -94.3 137.17 33.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.6 t -137.73 163.87 30.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -125.42 -77.99 0.31 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 127.26 14.39 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.4 t -108.08 132.32 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.9 t -80.22 177.2 9.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.499 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -133.45 109.3 9.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -133.53 152.05 51.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.71 122.77 0.69 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.423 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -169.67 120.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.4 m -136.68 129.37 30.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -38.22 100.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 54.0 Cg_endo -69.76 5.13 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.31 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.3 p -134.52 139.81 45.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -145.08 124.19 12.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -113.63 107.68 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -145.26 167.59 22.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -70.81 157.98 37.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 1.4 p90 -49.42 -18.6 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -110.86 144.71 30.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.617 0.722 . . . . 0.0 111.109 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.34 5.71 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 0.0 112.341 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -148.05 140.65 24.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.3 t -43.81 125.28 4.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.14 -14.83 53.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 13.1 tpt180 -92.35 -58.11 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.7 m -92.25 -39.24 11.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.0 t 70.6 50.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 24' ' ' THR . 32.4 mmtt -98.65 -73.11 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -170.8 154.95 4.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.2 mt -146.72 110.1 4.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.3 p -131.4 -62.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -62.11 99.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 57.28 -93.66 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.9 -173.83 49.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 HG13 ' CD ' ' A' ' 39' ' ' ARG . 12.4 m -149.34 171.57 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.895 0.379 . . . . 0.0 111.143 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 31' ' ' THR . 12.0 t -139.74 120.56 14.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 12.1 t80 -109.61 144.35 38.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.577 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 17.6 ptt180 46.51 42.79 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 63.6 27.45 14.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' TYR . 1.5 mm-40 -136.35 147.37 59.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.485 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.73 126.45 13.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.385 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.5 m95 -131.68 156.09 46.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 4.5 m170 -81.86 118.52 22.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.58 HH11 ' HB1' ' A' ' 52' ' ' ALA . 10.2 mmt180 -35.97 -40.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.0 pt-20 -75.31 -49.31 19.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 67.3 m -57.42 -54.36 47.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.9 tp -46.28 103.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 41' ' ' CYS . 27.9 m -152.54 154.77 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 50.8 t -52.44 152.66 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.543 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 1.6 m -95.21 19.92 9.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.35 -56.84 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -99.09 -10.06 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 63.98 50.56 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.5 t -104.6 140.87 21.5 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.564 0.697 . . . . 0.0 111.134 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 103.69 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 5.4 mt -83.28 13.85 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.58 ' HB1' HH11 ' A' ' 39' ' ' ARG . . . -48.7 98.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.086 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.87 35.32 79.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -118.1 156.69 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.97 110.24 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.6 p90 -148.35 178.61 8.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.651 HG21 ' CD2' ' A' ' 69' ' ' PHE . 9.1 t -135.56 154.1 51.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.9 p -100.31 141.14 33.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 17.5 tpt180 -140.52 131.17 25.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.857 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 45.97 41.23 7.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 64.18 46.93 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -153.58 124.97 3.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.558 0.694 . . . . 0.0 110.852 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.363 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 49.7 m-85 -120.56 131.31 54.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 10.6 p -74.32 149.57 40.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 67.1 t -45.41 -34.94 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.34 -38.68 90.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 35.1 m -85.12 -49.92 7.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.651 ' CD2' HG21 ' A' ' 57' ' ' THR . 31.9 t80 -45.81 -48.41 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -89.17 27.17 7.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.464 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.85 -35.93 0.85 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 72' ' ' LEU . 6.7 mp -92.49 -59.79 1.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 6.7 m-85 -69.04 -43.62 74.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.56 72.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.105 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 m -71.68 155.84 40.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.75 131.55 2.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.99 2.46 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' SER . 82.6 p -128.4 166.82 17.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 78' ' ' SER . 46.5 m 37.95 43.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.454 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 p -135.96 132.26 36.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.365 . . . . 0.0 110.865 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -144.85 169.13 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -164.73 18.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -162.45 158.87 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -147.22 177.7 8.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.19 76.7 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 157.54 60.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 22.2 p -72.23 177.39 4.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -151.8 122.84 7.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -140.68 140.86 35.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -116.38 81.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' HG22 ' A' ' 24' ' ' THR . 9.3 pttp -121.13 149.99 41.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -110.75 106.47 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -165.05 146.38 6.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.594 0.711 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' C ' HD12 ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.73 143.47 51.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -124.68 140.1 53.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 49.3 t -44.04 125.68 4.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.85 -17.14 34.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 8.3 tpm_? -92.51 -64.21 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.31 -38.56 21.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 3.9 t 65.77 48.65 1.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.809 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 24' ' ' THR . 52.0 mtpt -96.9 -78.29 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -166.93 147.8 5.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.144 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.503 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 8.3 mt -134.99 41.34 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.6 p -67.98 -57.9 5.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -46.75 -48.96 20.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.58 144.87 4.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.1 -132.76 1.39 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.3 m -149.07 175.88 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 111.11 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 31' ' ' THR . 7.8 t -137.55 127.42 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 3.1 t80 -120.65 124.37 45.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 32' ' ' TYR . 43.7 mtp85 60.79 54.42 3.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 52.73 34.36 15.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -144.53 143.34 21.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.624 0.726 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.79 127.6 14.8 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.675 2.25 . . . . 0.0 112.36 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 18.5 m95 -131.87 153.93 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' CYS . 1.9 m170 -82.36 113.06 19.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 38' ' ' HIS . 9.3 ttp180 -33.81 -36.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 38' ' ' HIS . 18.6 pt-20 -78.52 -48.42 15.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' HIS . 70.4 m -59.92 -54.17 49.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.0 tp -46.53 95.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 41' ' ' CYS . 30.9 m -143.67 152.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 52.8 t -48.06 146.4 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.5 m -89.15 20.62 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.23 -55.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.8 p -99.58 -9.06 23.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 62.99 49.36 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -105.77 141.53 22.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 111.92 2.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.665 2.243 . . . . 0.0 112.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.621 HD22 ' HB3' ' A' ' 56' ' ' PHE . 5.3 mt -89.18 15.44 8.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.62 98.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.12 35.59 83.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -118.67 155.25 31.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.717 0.294 . . . . 0.0 110.956 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 66' ' ' VAL . 33.0 mt-30 -75.67 108.18 8.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.621 ' HB3' HD22 ' A' ' 51' ' ' LEU . 40.8 p90 -144.0 177.71 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 t -138.02 157.3 46.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.3 m -102.24 141.28 35.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.577 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 11.5 tpt85 -140.44 133.11 28.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 46.53 39.58 6.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 66.09 43.18 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -149.78 126.1 5.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.8 Cg_endo -69.76 110.56 2.58 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.9 m-85 -117.52 139.09 51.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.711 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 3.0 p -82.35 150.71 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 55' ' ' GLN . 57.6 t -45.9 -35.44 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.711 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -38.06 87.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 27.4 m -85.23 -49.08 8.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -47.69 -45.47 28.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.24 27.72 11.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -135.03 -45.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 mp -78.99 -64.82 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.577 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 9.9 m-85 -68.74 -44.22 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.17 116.04 24.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -67.8 -46.76 71.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.38 10.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.4 p -107.39 42.0 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.5 m 58.56 41.66 22.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.489 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -139.53 106.49 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 t -131.72 129.37 40.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.87 95.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -153.33 112.51 3.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -75.19 -56.63 4.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.85 124.16 2.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.7 3.16 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.298 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.1 m -106.04 133.32 50.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -157.0 174.77 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -135.09 168.04 19.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -90.89 -61.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -51.0 133.57 27.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -149.61 141.21 23.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -151.51 159.67 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 111.092 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.8 Cg_endo -69.8 174.51 9.44 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -146.87 139.85 25.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.1 t -42.75 125.09 3.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.21 -15.99 58.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 46.3 tpt85 -89.7 -58.12 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.11 -38.84 10.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.5 t 71.38 49.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.824 ' O ' HG23 ' A' ' 24' ' ' THR . 2.4 mmmp? -95.63 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.824 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.4 p -169.91 156.1 6.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.5 mt -146.83 109.3 4.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.17 -38.18 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' A' ' 29' ' ' GLY . 77.8 mt-30 -87.88 110.16 20.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 -80.01 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 27' ' ' GLN . . . 55.61 163.33 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.487 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.687 HG13 ' HG2' ' A' ' 39' ' ' ARG . 31.6 m -138.61 176.44 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.929 0.395 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 31' ' ' THR . 15.0 t -139.14 128.83 24.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -121.15 122.19 39.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 13.6 mtp-105 62.13 53.72 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 53.66 38.14 27.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.06 142.74 16.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.624 0.726 . . . . 0.0 110.921 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.69 128.56 16.27 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.371 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m95 -132.02 154.27 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.457 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 2.7 m170 -79.45 118.38 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.687 ' HG2' HG13 ' A' ' 30' ' ' VAL . 43.0 mtp85 -39.92 -32.82 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 12.9 pt-20 -81.95 -44.65 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.478 ' O ' HG22 ' A' ' 43' ' ' VAL . 88.3 m -62.1 -51.59 67.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -50.74 96.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 41' ' ' CYS . 32.2 m -148.21 156.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.482 ' HB2' HG22 ' A' ' 49' ' ' THR . 45.8 t -50.26 150.64 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 45' ' ' THR . 25.0 m -93.92 19.18 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.27 -55.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.5 p -97.42 -15.83 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 68.01 55.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 ' HB2' ' A' ' 44' ' ' CYS . 12.3 t -109.8 140.88 22.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 111.145 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.41 1.48 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.351 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.2 mt -84.66 15.46 3.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 39' ' ' ARG . . . -47.9 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.49 37.26 92.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -118.6 153.35 34.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -75.52 109.51 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 29.6 p90 -147.47 -179.6 6.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.5 t -137.07 156.92 47.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.9 p -112.6 147.23 37.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -140.36 132.42 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 49.95 41.46 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 65.12 47.23 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -152.59 121.78 3.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 114.62 3.76 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 50.3 m-85 -122.89 132.27 54.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.745 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p -74.89 150.89 39.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.8 t -46.48 -34.84 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.745 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -62.58 -38.47 90.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 34.9 m -84.4 -46.37 11.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -45.71 -55.34 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -87.14 23.45 11.26 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -126.27 -33.21 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.6 mp -93.18 -56.32 3.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -74.41 -43.48 56.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.98 -49.13 18.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m 61.66 47.35 6.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.23 114.08 6.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.4 42.67 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -72.64 131.48 42.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.2 p -100.7 42.44 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.476 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -166.47 166.69 16.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -65.83 162.02 19.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.77 142.75 16.25 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 t -121.6 134.81 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -136.0 171.18 14.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.12 68.65 0.48 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 89.22 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.2 t -171.86 115.76 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 20.2 p90 -118.89 99.64 6.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.94 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 12' ' ' ASN . 17.9 tp10 -99.57 42.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 11' ' ' GLU . 49.3 t30 -36.61 -55.87 0.84 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -106.25 129.57 54.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' O ' ' CG ' ' A' ' 14' ' ' PHE . 27.5 p90 -111.27 118.86 37.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -159.01 159.88 29.2 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.6 Cg_endo -69.73 155.95 64.69 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -134.05 138.45 45.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.5 t -44.09 126.78 5.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.96 -15.76 59.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 23.3 tpt180 -91.75 -57.1 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 m -92.13 -40.7 10.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.0 t 68.59 49.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 24' ' ' THR . 21.0 mttm -100.12 -73.86 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.2 p -169.98 149.96 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.512 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.4 mt -134.81 44.19 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.0 p -61.7 -45.82 92.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -83.01 101.02 10.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 42.17 -139.24 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.17 17.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.522 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.7 m -144.23 167.95 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 111.143 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.662 HG23 ' O ' ' A' ' 31' ' ' THR . 5.4 t -134.29 113.38 11.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.7 t80 -107.69 140.76 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 15.6 ptt180 47.77 38.25 8.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 0.8 OUTLIER 67.96 27.79 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' TYR . 14.4 mt-30 -137.81 145.27 47.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.565 0.698 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.512 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.72 127.34 14.48 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.408 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.3 m95 -132.05 146.84 52.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 3.3 m170 -75.68 117.16 17.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 38' ' ' HIS . 22.2 mtm180 -33.28 -42.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 41' ' ' CYS . 15.7 pt-20 -74.0 -48.75 28.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 40' ' ' GLU . 98.3 m -58.08 -54.17 49.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 44.2 tp -46.77 99.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 41' ' ' CYS . 28.2 m -149.13 151.38 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.7 t -50.12 153.79 1.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.529 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 7.3 m -95.8 20.62 9.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.91 -57.43 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.2 p -100.75 -9.74 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 63.88 54.78 1.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -109.21 140.71 22.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.106 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 105.01 1.42 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.742 2.295 . . . . 0.0 112.294 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 2.8 mt -83.61 14.35 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.46 98.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 71.07 33.93 65.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -119.67 151.28 38.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.724 0.297 . . . . 0.0 110.893 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -75.32 113.35 12.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.445 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 28.5 p90 -148.29 -178.75 6.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.3 t -135.2 163.37 30.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.173 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 65.0 p -114.47 142.0 46.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 6.8 tpt180 -140.37 128.76 22.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 52.43 38.25 24.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 66.25 48.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -155.3 126.45 3.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.12 5.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.7 m-85 -125.33 128.74 48.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 14.3 p -70.5 150.15 46.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -47.11 -37.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.101 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.31 -31.27 72.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.0 m -88.86 -50.38 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -45.07 -48.51 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.555 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -90.81 29.05 7.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.47 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -134.91 -42.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.2 mp -80.68 -57.11 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 16.4 m-85 -79.81 -44.28 20.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.555 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -92.87 154.66 18.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -93.31 -44.36 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.44 -99.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 1.45 4.45 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.324 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.5 t -162.77 123.88 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.5 m -57.68 130.04 44.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.473 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -155.81 167.23 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 0.0 110.889 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -168.52 157.95 9.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.17 71.3 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -127.56 121.89 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -168.08 124.97 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.84 79.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 168.79 20.5 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.2 t -104.78 123.29 47.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -81.1 150.19 28.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -102.71 156.46 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -76.42 48.19 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.4 mmtt -74.07 84.76 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -100.83 -14.62 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -169.89 151.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.555 0.693 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 163.67 37.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -133.27 138.44 46.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.2 t -44.04 127.01 5.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.39 -16.16 59.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 12.6 tpt180 -91.85 -58.18 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.9 -40.83 12.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 68.31 44.36 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.764 ' O ' HG23 ' A' ' 24' ' ' THR . 44.0 mtpt -95.48 -75.03 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.764 HG23 ' O ' ' A' ' 23' ' ' LYS . 1.3 p -168.0 151.08 5.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -134.95 74.79 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.458 ' O ' ' C ' ' A' ' 27' ' ' GLN . 80.9 p -60.85 173.88 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' THR . 2.8 pm0 -33.2 108.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.16 90.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' CD ' ' A' ' 39' ' ' ARG . . . -157.97 174.22 35.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.89 174.25 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.362 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 31' ' ' THR . 14.8 t -141.91 123.17 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' HD2' ' A' ' 33' ' ' ARG . 11.1 t80 -117.8 123.79 46.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TYR . 63.3 mtt-85 63.66 46.87 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' C ' ' HG2' ' A' ' 35' ' ' GLN . 37.0 t70 59.05 33.97 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 32' ' ' TYR . 9.3 mm100 -146.56 144.65 21.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.82 130.21 18.87 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 16.5 m95 -132.37 153.12 51.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.4 m170 -81.9 117.61 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CD ' ' HA2' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -34.52 -44.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.37 -49.54 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 38' ' ' HIS . 66.8 m -56.93 -53.9 52.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.3 tp -50.59 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 m -146.27 151.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.7 t -52.73 144.85 13.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.54 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.7 m -89.1 20.17 3.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 -54.59 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.4 p -102.82 -9.68 19.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.813 0.34 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 65.7 48.44 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -105.74 140.99 21.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.596 0.712 . . . . 0.0 111.133 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 112.72 3.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.324 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 65' ' ' CYS . 3.1 mt -95.23 16.29 16.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.22 100.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.24 37.95 95.23 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 HE21 HD23 ' A' ' 51' ' ' LEU . 15.7 tt0 -116.98 155.28 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.732 0.301 . . . . 0.0 110.936 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -74.83 107.68 7.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.562 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 38.0 p90 -148.52 178.48 8.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 69' ' ' PHE . 8.7 t -135.48 151.28 50.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.5 p -104.98 147.64 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 3.9 tpt180 -140.7 129.12 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 52.49 40.37 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.404 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 9.1 mt-10 66.68 45.35 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' GLU . 1.4 m-20 -150.92 122.7 3.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 44.7 m-85 -124.13 132.55 53.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.652 ' HB3' HD21 ' A' ' 51' ' ' LEU . 12.4 p -73.13 155.59 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.829 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.1 t -50.81 -38.71 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -59.74 -35.9 75.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 16.3 m -85.63 -47.65 9.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.47 ' CG ' HG21 ' A' ' 57' ' ' THR . 74.4 t80 -49.17 -50.29 38.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.593 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -89.8 28.55 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -135.0 -36.84 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mp -90.02 -63.73 1.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.41 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 12.2 m-85 -71.89 -43.37 65.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.593 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -85.66 81.7 8.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.2 t -174.62 140.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 78' ' ' SER . . . 179.12 87.92 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.429 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 16.44 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.688 2.258 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 76' ' ' GLY . 52.4 p -76.18 48.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.5 t -48.34 -56.76 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.193 -0.782 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 t -170.93 106.0 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.945 0.402 . . . . 0.0 110.814 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 p -102.17 42.11 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.2 52.67 0.14 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 t -132.62 42.13 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -93.65 148.15 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.37 73.74 0.23 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.44 50.8 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.68 2.254 . . . . 0.0 112.328 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.9 p -165.27 158.19 16.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.13 94.6 8.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -106.68 155.35 19.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -63.76 -44.37 93.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -93.15 83.53 4.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 14' ' ' PHE . 20.1 p90 -74.25 86.07 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 16' ' ' PRO . . . -136.98 158.71 72.3 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.552 0.691 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 15' ' ' ALA . 53.9 Cg_endo -69.75 162.44 42.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.9 mtt85 -132.87 139.88 47.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 42.5 t -43.7 126.74 4.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.92 -14.39 46.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' CZ ' ' HA ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -94.79 -55.9 2.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.49 -41.99 11.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.502 ' N ' ' O ' ' A' ' 18' ' ' CYS . 1.9 t 71.1 50.31 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HG23 ' A' ' 24' ' ' THR . 17.7 mtpt -104.2 -71.13 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -169.05 160.3 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.113 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.8 mt -149.11 111.86 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -147.56 161.6 40.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 63.52 47.06 3.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.09 -117.51 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.87 171.26 45.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.438 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 HG13 ' HG2' ' A' ' 39' ' ' ARG . 16.9 m -136.69 176.09 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.9 0.381 . . . . 0.0 111.127 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 31' ' ' THR . 14.5 t -141.78 128.55 20.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PRO . 1.3 t80 -120.48 121.34 38.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 63.21 53.95 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 t0 53.44 37.85 26.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -148.75 143.15 16.87 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.79 128.98 16.77 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -132.09 152.58 51.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 6.8 m170 -79.05 117.95 20.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.513 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.1 mtm180 -36.1 -36.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.19 -49.77 13.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.504 ' O ' HG22 ' A' ' 43' ' ' VAL . 62.0 m -57.64 -53.26 60.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -49.26 92.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 41' ' ' CYS . 33.1 m -142.55 154.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 34.9 t -50.28 159.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.826 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.568 ' HB ' ' CE1' ' A' ' 64' ' ' TYR . 6.5 m -98.67 -6.41 29.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -105.78 -53.9 0.74 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 24.7 p -101.15 -12.44 18.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 63.79 49.31 2.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.8 t -103.65 140.99 21.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.455 ' HA ' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.81 106.68 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.654 2.236 . . . . 0.0 112.365 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD21 ' HB3' ' A' ' 65' ' ' CYS . 2.7 mt -83.59 14.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -45.98 100.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 68.8 35.58 80.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -120.5 155.48 33.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 0.0 110.927 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.587 ' O ' HG23 ' A' ' 66' ' ' VAL . 16.4 tt0 -77.05 111.3 12.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 40.5 p90 -148.09 178.04 8.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.33 162.28 32.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.1 m -106.65 136.58 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 73' ' ' PHE . 4.8 tpm_? -140.37 135.76 32.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' C ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER 47.7 47.76 17.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 55.28 33.96 21.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -142.9 128.71 10.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.831 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 53.7 Cg_endo -69.8 120.07 6.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.698 2.265 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 45' ' ' THR . 48.8 m-85 -125.36 132.36 52.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.575 ' HB3' HD21 ' A' ' 51' ' ' LEU . 13.7 p -71.72 167.76 19.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 55' ' ' GLN . 96.1 t -65.12 -30.96 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -69.09 -27.4 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 17.7 m -93.28 -48.5 6.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 57' ' ' THR . 73.5 t80 -46.54 -45.03 18.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.36 28.44 12.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -134.77 -39.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.905 0.384 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.3 mp -85.06 -61.29 1.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 59' ' ' ARG . 7.7 m-85 -73.51 -42.35 61.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.63 50.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 52.5 p 43.03 40.59 2.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.68 174.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -49.44 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.6 p -119.99 41.45 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t 44.33 42.12 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.09 -0.839 . . . . 0.0 112.502 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -157.55 117.12 3.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.0 t -173.15 130.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.6 137.12 2.14 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -169.7 143.27 2.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.855 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -129.14 135.65 49.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.46 80.01 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 139.81 41.04 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.332 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -139.48 140.86 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -131.24 129.87 42.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -114.7 41.11 2.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -70.6 80.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.12 87.45 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -110.37 35.99 3.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -174.63 147.8 1.16 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 149.72 67.07 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' HB3' ' C ' ' A' ' 22' ' ' SER . 77.9 mtt-85 -131.87 139.82 48.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' A' ' 22' ' ' SER . 43.3 t -39.83 126.84 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.89 -13.75 57.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 20.7 tpt180 -92.71 -54.37 3.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.1 m -97.69 -40.46 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 t 72.36 49.6 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' THR . 1.7 mmmp? -93.72 -75.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -173.75 146.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 6.9 mt -134.97 79.64 1.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 26.7 p -100.33 -55.8 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -109.62 124.08 50.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.53 100.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -156.59 166.92 33.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.447 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.638 HG13 ' HG2' ' A' ' 39' ' ' ARG . 12.2 m -137.46 168.72 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 31' ' ' THR . 5.7 t -135.86 118.83 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 33' ' ' ARG . 11.4 t80 -112.83 144.29 42.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.561 ' HG2' ' CD2' ' A' ' 32' ' ' TYR . 26.2 ptt180 48.65 37.17 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.8 t70 67.92 26.53 7.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 32' ' ' TYR . 13.8 mt-30 -136.72 148.64 64.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.63 0.728 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.8 126.59 13.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 21.2 m95 -132.22 147.11 52.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 40' ' ' GLU . 2.3 m170 -76.18 115.8 16.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.638 ' HG2' HG13 ' A' ' 30' ' ' VAL . 13.9 mtt180 -33.14 -35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 38' ' ' HIS . 32.6 mt-10 -81.47 -52.53 7.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 89.5 m -55.77 -49.34 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 tp -49.85 99.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.3 m -148.36 150.87 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 156.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 1.3 m -97.9 21.3 10.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.15 -52.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.3 p -105.11 -9.55 17.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.785 0.326 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 63.73 51.17 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.4 t -104.62 140.71 21.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.547 0.689 . . . . 0.0 111.178 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 105.13 1.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.532 ' HB3' ' CD2' ' A' ' 56' ' ' PHE . 4.9 mt -82.18 14.43 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -46.28 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.17 36.43 79.8 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.38 154.65 30.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.321 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 66' ' ' VAL . 79.4 mt-30 -74.87 110.95 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 33.5 p90 -149.1 179.37 7.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.568 HG21 ' CD1' ' A' ' 69' ' ' PHE . 7.3 t -134.6 171.01 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.4 p -121.14 137.09 54.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.541 ' HG2' ' CE1' ' A' ' 73' ' ' PHE . 4.4 tpm_? -140.62 129.64 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 51.09 40.07 24.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 62.46 47.86 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -152.09 121.0 3.35 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 114.93 3.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.713 2.276 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.6 m-85 -121.57 133.92 55.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 18.3 p -74.78 143.16 44.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 55' ' ' GLN . 67.2 t -40.77 -34.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -63.54 -42.12 98.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 72' ' ' LEU . 27.4 m -81.01 -41.74 22.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.568 ' CD1' HG21 ' A' ' 57' ' ' THR . 93.3 t80 -46.43 -39.1 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.766 ' HA2' ' HB3' ' A' ' 74' ' ' ALA . . . -91.7 25.48 15.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 67' ' ' ALA . 14.0 mt-10 -133.68 -45.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 72' ' ' LEU . 4.8 mp -78.44 -58.25 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 59' ' ' ARG . 4.2 m-85 -82.0 -40.14 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.766 ' HB3' ' HA2' ' A' ' 70' ' ' GLY . . . -90.15 74.13 7.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.3 p -134.53 88.62 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.09 158.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 175.85 7.57 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.7 p -111.37 147.59 34.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -94.68 -51.54 4.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -167.78 111.5 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.88 0.372 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p -142.39 132.5 24.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.61 41.39 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -106.48 81.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.905 0.384 . . . . 0.0 110.863 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 t -153.57 120.88 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.33 137.9 13.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 98.23 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.692 2.262 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.9 t -50.68 111.62 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -101.99 138.07 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -164.01 118.86 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -110.24 86.76 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -133.62 132.81 41.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -134.39 107.24 7.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.52 150.44 76.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.608 0.718 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 152.22 69.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.0 mtt85 -132.79 139.79 47.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 46.0 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.9 -15.82 24.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 5.4 tpm_? -92.46 -63.46 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.04 -36.86 16.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 18' ' ' CYS . 4.5 t 65.24 49.98 1.86 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.783 ' O ' HG23 ' A' ' 24' ' ' THR . 28.7 mmmt -93.33 -75.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -171.04 144.77 2.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.11 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' CD1' ' HB2' ' A' ' 36' ' ' PRO . 7.3 mt -134.62 95.06 3.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.8 p -111.61 -57.42 2.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -116.61 130.97 57.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.25 86.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.04 167.39 29.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' ' 39' ' ' ARG . 9.0 m -139.85 178.04 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 31' ' ' THR . 14.9 t -141.37 125.67 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 17.7 t80 -118.75 121.72 40.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 8.0 mtp-105 62.58 54.49 2.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 53.33 36.07 21.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 32' ' ' TYR . 53.3 mt-30 -147.29 143.02 17.51 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 25' ' ' LEU . 54.2 Cg_endo -69.67 127.06 14.13 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CD1' ' HB3' ' A' ' 32' ' ' TYR . 19.4 m95 -131.97 146.47 52.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.532 ' CE1' ' HB2' ' A' ' 18' ' ' CYS . 5.1 m170 -74.83 119.22 18.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' HG2' HG13 ' A' ' 30' ' ' VAL . 34.9 mtt-85 -36.72 -39.2 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -76.07 -46.79 27.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 43' ' ' VAL . 66.6 m -59.56 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.35 89.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 41' ' ' CYS . 18.0 m -139.73 155.31 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 53.9 t -54.51 144.91 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.535 ' HB ' ' CZ ' ' A' ' 64' ' ' TYR . 2.7 m -89.14 19.97 3.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.44 -53.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.77 -8.33 18.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.777 0.323 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 63.33 54.97 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -112.14 140.44 23.55 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 111.168 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.18 2.49 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.335 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.585 HD22 ' HB3' ' A' ' 56' ' ' PHE . 2.9 mt -83.93 8.68 14.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.44 101.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 73.45 32.94 59.2 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.473 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -126.84 152.42 47.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -76.89 120.07 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.585 ' HB3' HD22 ' A' ' 51' ' ' LEU . 46.3 p90 -149.16 -179.78 7.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.424 HG21 ' CD1' ' A' ' 69' ' ' PHE . 8.6 t -136.79 158.02 45.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 p -108.51 139.72 42.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -140.46 131.76 26.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 46.88 40.03 8.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 65.89 45.2 2.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -150.49 122.19 4.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 109.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.535 ' CZ ' ' HB ' ' A' ' 45' ' ' THR . 50.1 m-85 -117.51 130.54 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 67' ' ' ALA . 11.9 p -70.32 155.82 40.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.62 -38.0 25.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 65' ' ' CYS . . . -61.98 -31.3 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.8 m -88.58 -49.38 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.424 ' CD1' HG21 ' A' ' 57' ' ' THR . 89.8 t80 -46.04 -51.14 14.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.488 ' HA2' ' HB2' ' A' ' 74' ' ' ALA . . . -87.46 27.65 6.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -134.99 -34.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.56 -62.99 1.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -70.14 -43.35 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.488 ' HB2' ' HA2' ' A' ' 70' ' ' GLY . . . -57.96 -46.85 84.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.9 m -72.45 -45.53 59.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 133.98 124.77 2.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.11 20.57 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.257 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -58.62 -55.36 36.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.0 m -153.62 140.39 19.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.5 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_